(4-Chlorosulfonyl-phenyl)-carbamic acid octyl ester
TL;DR: (4-Chlorosulfonyl-phenyl)-carbamic acid octyl ester (CAS 680185-45-9) is a chemical compound with molecular formula C15H22ClNO4S and molecular weight 347.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octyl N-(4-chlorosulfonylphenyl)carbamate
Also Known As: Octyl N-(4-chlorosulfonylphenyl)carbamate, (4-Chlorosulfonyl-phenyl)-carbamic acid octyl ester, Octyl (4-(chlorosulfonyl)phenyl)carbamate, Octyl(4-(chlorosulfonyl)phenyl)carbamate, (4-chlorosulfonylphenyl)carbamic acid octyl ester
| Molecular Formula | C15H22ClNO4S |
|---|---|
| Molecular Weight | 347.10 g/mol |
| LogP | 4.5231 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 347.0958 |
| Heavy Atoms | 22 |
| Complexity | 557.4101 |
Chemical Identifiers
| CAS Number | 680185-45-9 |
|---|---|
| SMILES | CCCCCCCCOC(=O)NC1=CC=C(C=C1)S(=O)(=O)Cl |
Product Overview
(4-Chlorosulfonyl-phenyl)-carbamic acid octyl ester (CAS 680185-45-9), with molecular formula C15H22ClNO4S and molecular weight 347.10 g/mol. IUPAC: octyl N-(4-chlorosulfonylphenyl)carbamate.
Chemical Property Profile of (4-Chlorosulfonyl-phenyl)-carbamic acid octyl ester
Property Insights of (4-Chlorosulfonyl-phenyl)-carbamic acid octyl ester
The XLogP value of 4.5231 indicates that (4-Chlorosulfonyl-phenyl)-carbamic acid octyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Chlorosulfonyl-phenyl)-carbamic acid octyl ester. Following Lipinski's Rule of Five, (4-Chlorosulfonyl-phenyl)-carbamic acid octyl 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 (4-Chlorosulfonyl-phenyl)-carbamic acid octyl ester?
The CAS number of (4-Chlorosulfonyl-phenyl)-carbamic acid octyl ester is 680185-45-9.
What is the molecular formula of (4-Chlorosulfonyl-phenyl)-carbamic acid octyl ester?
The molecular formula of (4-Chlorosulfonyl-phenyl)-carbamic acid octyl ester is C15H22ClNO4S.
What is the molecular weight of (4-Chlorosulfonyl-phenyl)-carbamic acid octyl ester?
The molecular weight of (4-Chlorosulfonyl-phenyl)-carbamic acid octyl ester is 347.10 g/mol.
Where can I buy (4-Chlorosulfonyl-phenyl)-carbamic acid octyl ester?
You can request a quote for (4-Chlorosulfonyl-phenyl)-carbamic acid octyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Chlorosulfonyl-phenyl)-carbamic acid octyl ester?
Yes, KEHONG BIO provides custom synthesis services for (4-Chlorosulfonyl-phenyl)-carbamic acid octyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.