Carbamic acid, methyl-, o-(1,3-oxathiolan-2-yl)phenyl ester
TL;DR: Carbamic acid, methyl-, o-(1,3-oxathiolan-2-yl)phenyl ester (CAS 6842-34-8) is a chemical compound with molecular formula C11H13NO3S and molecular weight 239.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(1,3-oxathiolan-2-yl)phenyl] N-methylcarbamate
Also Known As: o-(1,3-Oxathiolan-2-yl)phenyl methylcarbamate, 5-19-02-00548 (Beilstein Handbook Reference), Carbamic acid, methyl-, o-(1,3-oxathiolan-2-yl)phenyl ester, [2-(1,3-oxathiolan-2-yl)phenyl] N-methylcarbamate, 2-(1,3-Oxathiolan-2-yl)phenyl hydrogen methylcarbonimidate
| Molecular Formula | C11H13NO3S |
|---|---|
| Molecular Weight | 239.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.06161 |
| Heavy Atoms | 16 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 6842-34-8 |
|---|---|
| SMILES | CNC(=O)OC1=CC=CC=C1C2OCCS2 |
| InChIKey | HRKDQJLXVNMUPN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbamic acid, methyl-, o-(1,3-oxathiolan-2-yl)phenyl ester (CAS 6842-34-8), with molecular formula C11H13NO3S and molecular weight 239.06 g/mol. IUPAC: [2-(1,3-oxathiolan-2-yl)phenyl] N-methylcarbamate.
Chemical Property Profile of Carbamic acid, methyl-, o-(1,3-oxathiolan-2-yl)phenyl ester
Property Insights of Carbamic acid, methyl-, o-(1,3-oxathiolan-2-yl)phenyl ester
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, methyl-, o-(1,3-oxathiolan-2-yl)phenyl ester. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, methyl-, o-(1,3-oxathiolan-2-yl)phenyl ester. Following Lipinski's Rule of Five, Carbamic acid, methyl-, o-(1,3-oxathiolan-2-yl)phenyl 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, methyl-, o-(1,3-oxathiolan-2-yl)phenyl ester?
The CAS number of Carbamic acid, methyl-, o-(1,3-oxathiolan-2-yl)phenyl ester is 6842-34-8.
What is the molecular formula of Carbamic acid, methyl-, o-(1,3-oxathiolan-2-yl)phenyl ester?
The molecular formula of Carbamic acid, methyl-, o-(1,3-oxathiolan-2-yl)phenyl ester is C11H13NO3S.
What is the molecular weight of Carbamic acid, methyl-, o-(1,3-oxathiolan-2-yl)phenyl ester?
The molecular weight of Carbamic acid, methyl-, o-(1,3-oxathiolan-2-yl)phenyl ester is 239.06 g/mol.
Where can I buy Carbamic acid, methyl-, o-(1,3-oxathiolan-2-yl)phenyl ester?
You can request a quote for Carbamic acid, methyl-, o-(1,3-oxathiolan-2-yl)phenyl 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, methyl-, o-(1,3-oxathiolan-2-yl)phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, methyl-, o-(1,3-oxathiolan-2-yl)phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.