![CAS 157887-82-6 3-[(9H-Fluoren-9-ylmethoxy)carbonylamino]-1-propanol molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/f1036-jpgcontextbwfzdgvyfhjvb3r8mze5mjz8aw1hz2uvanblz3xomdqvadc1lzg5mza3mtq5nzyyodyvrjewmzyuanbnfddlnjq4nzm4mzmznjmym2fimdzknmq3mjjjnwyymte3mzjlntu3ztnhzdcymtg0oda0ntq0mdvlmzezytfknzy.jpeg)
CAS RN: 157887-82-6
3-[(9H-Fluoren-9-ylmethoxy)carbonylamino]-1-propanol
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-066588
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, 25g, 5g, 10g, 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% | 2 In Stock | Shenzhen | Inquiry |
| 25g | >97% | 2 In Stock | Shenzhen | Inquiry |
| 5g | >97% | 1 In Stock | Shanghai | Inquiry |
| 10g | >97% | 1 In Stock | Beijing | Inquiry |
| 100g | >97% | 1 In Stock | Shanghai | Inquiry |
157887-82-6 / 9H-fluoren-9-ylmethyl N-(3-hydroxypropyl)carbamate
Basic Information
CAS
157887-82-6
Multi CAS
No
Molecular Formula
C18H19NO3
Molecular Weight
297.300000
Exact Mass
297.136493
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCCO
InChI
InChI=1S/C18H19NO3/c20-11-5-10-19-18(21)22-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17,20H,5,10-12H2,(H,19,21)
InChIKey
GNXZNUJDAMSJFZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.28
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
84.77
TPSA
58.56
LogP / Solubility
WLOGP
2.91
MLOGP
2.57
XLogP3
2.7
Consensus LogP
2.73
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.61
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.47
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
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.
Customers Also Viewed
-
![CAS 166108-71-0 8-[(9H-Fluoren-9-ylmethoxy)carbonylamino]-3,6-dioxa-n-octanoic Acid molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
8-[(9H-Fluoren-9-ylmethoxy)carbonylamino]-3,6-dioxa-n-octanoic Acid
- CAS RN: 166108-71-0
- Product Code: SSC-072526
-
-
-
-
-
![CAS 166108-71-0 8-[(9H-Fluoren-9-ylmethoxy)carbonylamino]-3,6-dioxa-n-octanoic Acid molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/f0719-jpgcontextbwfzdgvyfhjvb3r8mjg0mzv8aw1hz2uvanblz3xon2qvage1lzg5mza2njq5mdy3odivrja3mtkuanbnfdu1ztvmzju0zmi2odu4otg0yta2mdk4zjnjyjuwyjfhyzdlmzy4ytjlndixm2zmzju5nwrlzjc1ntjlogvhzmi.jpeg)
