![CAS 126828-35-1 4-[(2,4-Dimethoxyphenyl)[(9H-fluoren-9-ylmethoxy)carbonylamino]methyl]phenoxyacetic Acid molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d2672-jpgcontextbwfzdgvyfhjvb3r8mzgyotj8aw1hz2uvanblz3xozmyvada4lzg5mzawnze4nze1mtgvrdi2nziuanbnfduymtnmytm0mgfmytq5m2u3ymnlmmm1m2q0zgm1n2u4zdgymdrmy2vmzte1ndlmzju5otgznwrjy2u0yjzhzja.jpeg)
CAS RN: 126828-35-1
4-[(2,4-Dimethoxyphenyl)[(9H-fluoren-9-ylmethoxy)carbonylamino]methyl]phenoxyacetic Acid
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock2 grade groups
- Product code: SSC-034055
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 5g, 10g, 25g, 100g
- Available purity: ≥98%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | -- | 5 In Stock | Hong Kong | Inquiry |
| 1g | ≥98% | 5 In Stock | Shenzhen | Inquiry |
| 5g | -- | 2 In Stock | Hong Kong | Inquiry |
| 5g | ≥98% | 2 In Stock | Hong Kong | Inquiry |
| 10g | -- | 0 Out of Stock | Shenzhen | Inquiry |
| 10g | ≥98% | 0 Out of Stock | Hong Kong | Inquiry |
| 25g | -- | 0 Out of Stock | Shanghai | Inquiry |
| 25g | ≥98% | 0 Out of Stock | Hong Kong | Inquiry |
| 100g | -- | 0 Out of Stock | Shanghai | Inquiry |
| 100g | ≥98% | 0 Out of Stock | Beijing | Inquiry |
126828-35-1 / 2-[4-[(2,4-dimethoxyphenyl)-(9H-fluoren-9-ylmethoxycarbonylamino)methyl]phenoxy]acetic acid
Basic Information
CAS
126828-35-1
Multi CAS
No
Molecular Formula
C32H29NO7
Molecular Weight
539.600000
Exact Mass
539.194402
SMILES
COC1=CC(=C(C=C1)C(C2=CC=C(C=C2)OCC(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)OC
InChI
InChI=1S/C32H29NO7/c1-37-22-15-16-27(29(17-22)38-2)31(20-11-13-21(14-12-20)39-19-30(34)35)33-32(36)40-18-28-25-9-5-3-7-23(25)24-8-4-6-10-26(24)28/h3-17,28,31H,18-19H2,1-2H3,(H,33,36)(H,34,35)
InChIKey
UPMGJEMWPQOACJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
40
Aromatic heavy atom count
24
Fraction Csp3
0.19
Rotatable bonds
10
H-bond acceptors
6
H-bond donors
2
Molar refractivity
149.17
TPSA
103.32
LogP / Solubility
WLOGP
5.8
MLOGP
5.14
XLogP3
5.8
Consensus LogP
5.58
Log S (ESOL)
-6.62
Class (ESOL)
Insoluble
Log S (Ali)
-8.17
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.18
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.9
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
5.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Not Classified
Reported as not meeting GHS hazard criteria by 2 of 2 companies. For more detailed information, please visit ECHA C&L website.
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Applications of CAS 126828-35-1
This compound is commonly used in pharmaceutical research and drug discovery, life science and biochemical research, biochemistry and reagent applications, laboratory reagent and synthesis applications, general chemistry research and laboratory applications. Starshine Chemical supplies CAS 126828-35-1 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.
Storage & Handling
Storage: Keep the container tightly closed in a cool, dry and well-ventilated place. Avoid: Heat Sensitive. For detailed hazard, storage and transport information, request the SDS (Safety Data Sheet) with your inquiry.
Quotation & Packaging
Prices are confirmed by inquiry. Request a quote for current pricing, minimum order quantity (MOQ) and lead time. The pack sizes listed on this page are reference options; custom pack sizes and bulk quantities are available on request.
Quality & Compliance
Specifications and purity shown on this page are based on batch records. A Certificate of Analysis (COA) is available on request. For research and further manufacturing use only — not for direct human or therapeutic use.
Customers Also Viewed
-
![CAS 71989-33-8 O-tert-Butyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-serine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b3168-jpgcontextbwfzdgvyfhjvb3r8mze5ndl8aw1hz2uvanblz3xozjuvadg3lzg5mjg5mtg5njiymdyvqjmxnjguanbnfgjmzmmxmda2mmmymmrmm2jjytk1yjjmyzk5yzriywiwmdzkmwm0nzllnjgwyjqwzmizzjvmzdg2ztllodmzyzu.jpeg)
O-tert-Butyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-serine
- CAS RN: 71989-33-8
- Product Code: SSC-181505
-
![CAS 132388-59-1 Nα-[(9H-Fluoren-9-ylmethoxy)carbonyl]-Nγ-trityl-L-asparagine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/f0508-jpgcontextbwfzdgvyfhjvb3r8mzqxnzr8aw1hz2uvanblz3xoymmvada1lzg5mza2ntmxmtazmdivrja1mdguanbnfdnknzm2mmjkzdgwzmfjm2vlzmm4mzhimznlzwe4zmzimwu1ngvjodiynjhkzwrlnzriotk0nwjlnteyodfknmi.jpeg)
Nα-[(9H-Fluoren-9-ylmethoxy)carbonyl]-Nγ-trityl-L-asparagine
- CAS RN: 132388-59-1
- Product Code: SSC-039299
-
![CAS 220497-85-8 N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3-(2-furyl)-D-alanine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/f0934-jpgcontextbwfzdgvyfhjvb3r8mzi3njb8aw1hz2uvanblz3xozdcvadu3lzg5mza3mdk1mzy3otgvrja5mzquanbnfdrjm2e2njmzzgnhymu1mwm0mzu3ogm4yznhogexnwy0n2jjntk2nmq5mdk0yjeymdrjytg5zjkyywq0yzk0zjk.jpeg)
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3-(2-furyl)-D-alanine
- CAS RN: 220497-85-8
- Product Code: SSC-106076
-
![CAS 104091-09-0 N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-D-glutamic Acid molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/f0600-jpgcontextbwfzdgvyfhjvb3r8mze2oth8aw1hz2uvanblz3xomdevadfllzg5mza2ntgzntmxodivrja2mdauanbnfde5ndkwnzi4mzlkotdkmtc5mdq0m2fimtqwngfinjq2m2vhywrjmzi0yty4nti5zgu4mdc5mjaxotk4ogq0zgm.jpeg)
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-D-glutamic Acid
- CAS RN: 104091-09-0
- Product Code: SSC-005859
-
![CAS 108321-39-7 Nα-[(9H-Fluoren-9-ylmethoxy)carbonyl]-D-asparagine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/f0591-jpgcontextbwfzdgvyfhjvb3r8mzmymjd8aw1hz2uvanblz3xomzmvade0lzg5mza2ntgwotewmzgvrja1oteuanbnfgrlnzjlnjuxngjln2i4odrkmtllmzy0odk5ngnmmmezztvmntbjyjyzmzk2mjjkntg5nguwzmy4ztuzzdrmmzq.jpeg)
Nα-[(9H-Fluoren-9-ylmethoxy)carbonyl]-D-asparagine
- CAS RN: 108321-39-7
- Product Code: SSC-009694
-
![CAS 35665-38-4 N-[(9H-Fluoren-9-ylmethoxy)carbonyl]glycylglycine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/f1234-jpgcontextbwfzdgvyfhjvb3r8mjk1njv8aw1hz2uvanblz3xomdyvagqwlzg5mza3mjqzndc5mzqvrjeymzquanbnfgrmyzk0y2uym2fkzgq0njg3otc2zmrlm2ewztizm2vizweyotc4nmizy2vkn2jiyzbhndezyjixmzczmwi4zdu.jpeg)
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]glycylglycine
- CAS RN: 35665-38-4
- Product Code: SSC-142699