Carbamic acid, (6,11-dihydrodibenzo(b,e)thiepin-11-yl)-, cyclopentyl ester
TL;DR: Carbamic acid, (6,11-dihydrodibenzo(b,e)thiepin-11-yl)-, cyclopentyl ester (CAS 74797-22-1) is a chemical compound with molecular formula C20H21NO2S and molecular weight 339.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclopentyl N-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)carbamate
Also Known As: cis/trans Citral, Cyclopentyl (6,11-dihydrodibenzo(b,e)thiepin-11-yl)carbamate, cyclopentyl N-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)carbamate, AE-641/30116060, Carbamic acid, (6,11-dihydrodibenzo(b,e)thiepin-11-yl)-, cyclopentyl ester
| Molecular Formula | C20H21NO2S |
|---|---|
| Molecular Weight | 339.13 g/mol |
| LogP | 5.0505 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 339.1293 |
| Heavy Atoms | 24 |
| Complexity | 692.42365 |
Chemical Identifiers
| CAS Number | 74797-22-1 |
|---|---|
| SMILES | C1CCC(C1)OC(=O)NC2C3=CC=CC=C3CSC4=CC=CC=C24 |
Product Overview
Carbamic acid, (6,11-dihydrodibenzo(b,e)thiepin-11-yl)-, cyclopentyl ester (CAS 74797-22-1), with molecular formula C20H21NO2S and molecular weight 339.13 g/mol. IUPAC: cyclopentyl N-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)carbamate.
Chemical Property Profile of Carbamic acid, (6,11-dihydrodibenzo(b,e)thiepin-11-yl)-, cyclopentyl ester
Property Insights of Carbamic acid, (6,11-dihydrodibenzo(b,e)thiepin-11-yl)-, cyclopentyl ester
The XLogP value of 5.0505 indicates that Carbamic acid, (6,11-dihydrodibenzo(b,e)thiepin-11-yl)-, cyclopentyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, Carbamic acid, (6,11-dihydrodibenzo(b,e)thiepin-11-yl)-, cyclopentyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, (6,11-dihydrodibenzo(b,e)thiepin-11-yl)-, cyclopentyl ester has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Carbamic acid, (6,11-dihydrodibenzo(b,e)thiepin-11-yl)-, cyclopentyl ester?
The CAS number of Carbamic acid, (6,11-dihydrodibenzo(b,e)thiepin-11-yl)-, cyclopentyl ester is 74797-22-1.
What is the molecular formula of Carbamic acid, (6,11-dihydrodibenzo(b,e)thiepin-11-yl)-, cyclopentyl ester?
The molecular formula of Carbamic acid, (6,11-dihydrodibenzo(b,e)thiepin-11-yl)-, cyclopentyl ester is C20H21NO2S.
What is the molecular weight of Carbamic acid, (6,11-dihydrodibenzo(b,e)thiepin-11-yl)-, cyclopentyl ester?
The molecular weight of Carbamic acid, (6,11-dihydrodibenzo(b,e)thiepin-11-yl)-, cyclopentyl ester is 339.13 g/mol.
Where can I buy Carbamic acid, (6,11-dihydrodibenzo(b,e)thiepin-11-yl)-, cyclopentyl ester?
You can request a quote for Carbamic acid, (6,11-dihydrodibenzo(b,e)thiepin-11-yl)-, cyclopentyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, (6,11-dihydrodibenzo(b,e)thiepin-11-yl)-, cyclopentyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, (6,11-dihydrodibenzo(b,e)thiepin-11-yl)-, cyclopentyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.