Carbamic acid, (4-((hexahydro-1H-azepin-1-yl)sulfonyl)phenyl)-, ethyl ester
TL;DR: Carbamic acid, (4-((hexahydro-1H-azepin-1-yl)sulfonyl)phenyl)-, ethyl ester (CAS 81865-16-9) is a chemical compound with molecular formula C15H22N2O4S and molecular weight 326.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[4-(azepan-1-ylsulfonyl)phenyl]carbamate
Also Known As: ethyl N-[4-(azepan-1-ylsulfonyl)phenyl]carbamate, ethyl [4-(azepan-1-ylsulfonyl)phenyl]carbamate, Carbamic acid, (4-((hexahydro-1H-azepin-1-yl)sulfonyl)phenyl)-, ethyl ester, Ethyl (4-((hexahydro-1H-azepin-1-yl)sulfonyl)phenyl)carbamate, Ethyl (4-(azepan-1-ylsulfonyl)phenyl)carbamate
| Molecular Formula | C15H22N2O4S |
|---|---|
| Molecular Weight | 326.13 g/mol |
| LogP | 2.8197 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.13004 |
| Heavy Atoms | 22 |
| Complexity | 590.4734 |
Chemical Identifiers
| CAS Number | 81865-16-9 |
|---|---|
| SMILES | CCOC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2 |
Product Overview
Carbamic acid, (4-((hexahydro-1H-azepin-1-yl)sulfonyl)phenyl)-, ethyl ester (CAS 81865-16-9), with molecular formula C15H22N2O4S and molecular weight 326.13 g/mol. IUPAC: ethyl N-[4-(azepan-1-ylsulfonyl)phenyl]carbamate.
Chemical Property Profile of Carbamic acid, (4-((hexahydro-1H-azepin-1-yl)sulfonyl)phenyl)-, ethyl ester
Property Insights of Carbamic acid, (4-((hexahydro-1H-azepin-1-yl)sulfonyl)phenyl)-, ethyl ester
The XLogP value of 2.8197 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, (4-((hexahydro-1H-azepin-1-yl)sulfonyl)phenyl)-, ethyl ester. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, (4-((hexahydro-1H-azepin-1-yl)sulfonyl)phenyl)-, ethyl ester. Following Lipinski's Rule of Five, Carbamic acid, (4-((hexahydro-1H-azepin-1-yl)sulfonyl)phenyl)-, ethyl ester has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Carbamic acid, (4-((hexahydro-1H-azepin-1-yl)sulfonyl)phenyl)-, ethyl ester?
The CAS number of Carbamic acid, (4-((hexahydro-1H-azepin-1-yl)sulfonyl)phenyl)-, ethyl ester is 81865-16-9.
What is the molecular formula of Carbamic acid, (4-((hexahydro-1H-azepin-1-yl)sulfonyl)phenyl)-, ethyl ester?
The molecular formula of Carbamic acid, (4-((hexahydro-1H-azepin-1-yl)sulfonyl)phenyl)-, ethyl ester is C15H22N2O4S.
What is the molecular weight of Carbamic acid, (4-((hexahydro-1H-azepin-1-yl)sulfonyl)phenyl)-, ethyl ester?
The molecular weight of Carbamic acid, (4-((hexahydro-1H-azepin-1-yl)sulfonyl)phenyl)-, ethyl ester is 326.13 g/mol.
Where can I buy Carbamic acid, (4-((hexahydro-1H-azepin-1-yl)sulfonyl)phenyl)-, ethyl ester?
You can request a quote for Carbamic acid, (4-((hexahydro-1H-azepin-1-yl)sulfonyl)phenyl)-, ethyl 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, (4-((hexahydro-1H-azepin-1-yl)sulfonyl)phenyl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, (4-((hexahydro-1H-azepin-1-yl)sulfonyl)phenyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.