3-methoxy-N-(2-oxothiolan-3-yl)benzamide
TL;DR: 3-methoxy-N-(2-oxothiolan-3-yl)benzamide (CAS 955970-41-9) is a chemical compound with molecular formula C12H13NO3S and molecular weight 251.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxy-N-(2-oxothiolan-3-yl)benzamide
Also Known As: 3-methoxy-N-(2-oxothiolan-3-yl)benzamide, BAS 01937006, 3-methoxy-N-(2-oxotetrahydrothiophen-3-yl)benzamide, 3-Methoxy-N-(2-oxo-tetrahydro-thiophen-3-yl)-benzamide, (3-methoxyphenyl)-N-(2-oxo(3-3,4,5-trihydrothienyl))carboxamide
| Molecular Formula | C12H13NO3S |
|---|---|
| Molecular Weight | 251.06 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.06161 |
| Heavy Atoms | 17 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 955970-41-9 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C(=O)NC2CCSC2=O |
| InChIKey | PEMDHSPIWFGGFK-UHFFFAOYSA-N |
Product Overview
3-methoxy-N-(2-oxothiolan-3-yl)benzamide (CAS 955970-41-9), with molecular formula C12H13NO3S and molecular weight 251.06 g/mol. IUPAC: 3-methoxy-N-(2-oxothiolan-3-yl)benzamide.
Chemical Property Profile of 3-methoxy-N-(2-oxothiolan-3-yl)benzamide
Property Insights of 3-methoxy-N-(2-oxothiolan-3-yl)benzamide
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methoxy-N-(2-oxothiolan-3-yl)benzamide. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methoxy-N-(2-oxothiolan-3-yl)benzamide. Following Lipinski's Rule of Five, 3-methoxy-N-(2-oxothiolan-3-yl)benzamide 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 3-methoxy-N-(2-oxothiolan-3-yl)benzamide?
The CAS number of 3-methoxy-N-(2-oxothiolan-3-yl)benzamide is 955970-41-9.
What is the molecular formula of 3-methoxy-N-(2-oxothiolan-3-yl)benzamide?
The molecular formula of 3-methoxy-N-(2-oxothiolan-3-yl)benzamide is C12H13NO3S.
What is the molecular weight of 3-methoxy-N-(2-oxothiolan-3-yl)benzamide?
The molecular weight of 3-methoxy-N-(2-oxothiolan-3-yl)benzamide is 251.06 g/mol.
Where can I buy 3-methoxy-N-(2-oxothiolan-3-yl)benzamide?
You can request a quote for 3-methoxy-N-(2-oxothiolan-3-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methoxy-N-(2-oxothiolan-3-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-methoxy-N-(2-oxothiolan-3-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.