Ethyl (phenylsulfonyl)methylcarbamate
TL;DR: Ethyl (phenylsulfonyl)methylcarbamate (CAS 3696-61-5) is a chemical compound with molecular formula C10H13NO4S and molecular weight 243.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(benzenesulfonylmethyl)carbamate
Also Known As: ethyl (phenylsulfonyl)methylcarbamate, Ethyl N-(benzenesulfonylmethyl)carbamate, ethyl n-(phenylsulfonylmethyl)carbamate, ethyl N-[(benzenesulfonyl)methyl]carbamate
| Molecular Formula | C10H13NO4S |
|---|---|
| Molecular Weight | 243.06 g/mol |
| LogP | 1.1639 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 243.05653 |
| Heavy Atoms | 16 |
| Complexity | 441.14664 |
Chemical Identifiers
| CAS Number | 3696-61-5 |
|---|---|
| SMILES | CCOC(=O)NCS(=O)(=O)C1=CC=CC=C1 |
Product Overview
Ethyl (phenylsulfonyl)methylcarbamate (CAS 3696-61-5), with molecular formula C10H13NO4S and molecular weight 243.06 g/mol. IUPAC: ethyl N-(benzenesulfonylmethyl)carbamate.
Chemical Property Profile of Ethyl (phenylsulfonyl)methylcarbamate
Property Insights of Ethyl (phenylsulfonyl)methylcarbamate
The XLogP value of 1.1639 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (phenylsulfonyl)methylcarbamate. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl (phenylsulfonyl)methylcarbamate. Following Lipinski's Rule of Five, Ethyl (phenylsulfonyl)methylcarbamate 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 Ethyl (phenylsulfonyl)methylcarbamate?
The CAS number of Ethyl (phenylsulfonyl)methylcarbamate is 3696-61-5.
What is the molecular formula of Ethyl (phenylsulfonyl)methylcarbamate?
The molecular formula of Ethyl (phenylsulfonyl)methylcarbamate is C10H13NO4S.
What is the molecular weight of Ethyl (phenylsulfonyl)methylcarbamate?
The molecular weight of Ethyl (phenylsulfonyl)methylcarbamate is 243.06 g/mol.
Where can I buy Ethyl (phenylsulfonyl)methylcarbamate?
You can request a quote for Ethyl (phenylsulfonyl)methylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (phenylsulfonyl)methylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (phenylsulfonyl)methylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.