![CAS 116821-47-7 N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-4-aminobutyric Acid molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/f0911-jpgcontextbwfzdgvyfhjvb3r8mza4mtr8aw1hz2uvanblz3xonmqvagmxlzg5mza3mdg1ntm3ntgvrja5mteuanbnfdhhnjnmzjhizgm5zmrjzwe2zmqxnwu5zda2ytbhzwnjmzvmmdq4m2jkmmm3yti5mgi1ndu3yjywotm2ymu5nwi.jpeg)
CAS RN: 116821-47-7
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-4-aminobutyric Acid
- Product code: SSC-016721
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: >97%
- Inventory rows with stock: 5
- 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 | >97% | 5 In Stock | Hong Kong | Inquiry |
| 5g | >97% | 5 In Stock | Beijing | Inquiry |
| 10g | >97% | 5 In Stock | Shenzhen | Inquiry |
| 25g | >97% | 5 In Stock | Beijing | Inquiry |
| 100g | >97% | 5 In Stock | Shanghai | Inquiry |
116821-47-7 / 4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
4-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)butanoic acid | 4-({[(9H-FLUOREN-9-YL)METHOXY]CARBONYL}AMINO)BUTANOIC ACID | RefChem:508463
Basic Information
CAS
116821-47-7
Multi CAS
Yes
Molecular Formula
C19H19NO4
Molecular Weight
325.400000
Exact Mass
325.131408
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCCC(=O)O
InChI
InChI=1S/C19H19NO4/c21-18(22)10-5-11-20-19(23)24-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17H,5,10-12H2,(H,20,23)(H,21,22)
InChIKey
ACUIFAAXWDLLTR-UHFFFAOYSA-N
Synonyms
4-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)butanoic acid
4-({[(9H-FLUOREN-9-YL)METHOXY]CARBONYL}AMINO)BUTANOIC ACID
RefChem:508463
832-968-2
Fmoc-GABA-OH
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.26
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
89.94
TPSA
75.63
LogP / Solubility
WLOGP
3.39
MLOGP
3
XLogP3
2.9
Consensus LogP
3.1
Log S (ESOL)
-3.97
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.68
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.31
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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 116821-47-7
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 116821-47-7 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.
Physical & Chemical Properties
| IUPAC Name | 4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid |
Safety Information (GHS)
Pictogram(s): GHS07. Signal word: Warning.
- H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
- H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
- H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary statements: 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 (click each P-code to see the statement)
Request the SDS (Safety Data Sheet) for full hazard and safety documentation.
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.
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