4-methyl-N-(2-oxothiolan-3-yl)benzamide
TL;DR: 4-methyl-N-(2-oxothiolan-3-yl)benzamide (CAS 466683-04-5) is a chemical compound with molecular formula C12H13NO2S and molecular weight 235.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-N-(2-oxothiolan-3-yl)benzamide
Also Known As: 4-methyl-N-(2-oxothiolan-3-yl)benzamide, BAS 00500763, 4-methyl-N-(2-oxotetrahydro-3-thienyl)benzamide, 4-Methyl-N-(2-oxo-tetrahydro-thiophen-3-yl)-benzamide, 4-methyl-N-(2-oxotetrahydrothiophen-3-yl)benzamide
| Molecular Formula | C12H13NO2S |
|---|---|
| Molecular Weight | 235.07 g/mol |
| LogP | 1.75692 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.0667 |
| Heavy Atoms | 16 |
| Complexity | 413.53186 |
Chemical Identifiers
| CAS Number | 466683-04-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NC2CCSC2=O |
Product Overview
4-methyl-N-(2-oxothiolan-3-yl)benzamide (CAS 466683-04-5), with molecular formula C12H13NO2S and molecular weight 235.07 g/mol. IUPAC: 4-methyl-N-(2-oxothiolan-3-yl)benzamide.
Chemical Property Profile of 4-methyl-N-(2-oxothiolan-3-yl)benzamide
Property Insights of 4-methyl-N-(2-oxothiolan-3-yl)benzamide
The XLogP value of 1.75692 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methyl-N-(2-oxothiolan-3-yl)benzamide. With a topological polar surface area (TPSA) of 46.17 Ų, 4-methyl-N-(2-oxothiolan-3-yl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-methyl-N-(2-oxothiolan-3-yl)benzamide has 1 hydrogen bond donor(s) and 3 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-methyl-N-(2-oxothiolan-3-yl)benzamide?
The CAS number of 4-methyl-N-(2-oxothiolan-3-yl)benzamide is 466683-04-5.
What is the molecular formula of 4-methyl-N-(2-oxothiolan-3-yl)benzamide?
The molecular formula of 4-methyl-N-(2-oxothiolan-3-yl)benzamide is C12H13NO2S.
What is the molecular weight of 4-methyl-N-(2-oxothiolan-3-yl)benzamide?
The molecular weight of 4-methyl-N-(2-oxothiolan-3-yl)benzamide is 235.07 g/mol.
Where can I buy 4-methyl-N-(2-oxothiolan-3-yl)benzamide?
You can request a quote for 4-methyl-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 4-methyl-N-(2-oxothiolan-3-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-N-(2-oxothiolan-3-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.