2-(4-methylphenyl)-N-(2-oxothiolan-3-yl)acetamide
TL;DR: 2-(4-methylphenyl)-N-(2-oxothiolan-3-yl)acetamide (CAS 957503-05-8) is a chemical compound with molecular formula C13H15NO2S and molecular weight 249.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylphenyl)-N-(2-oxothiolan-3-yl)acetamide
Also Known As: 2-(4-methylphenyl)-N-(2-oxothiolan-3-yl)acetamide, BAS 05600544, 2-(4-methylphenyl)-N-(2-oxotetrahydro-3-thienyl)acetamide, AJ-292/41845425, N-(2-Oxo-tetrahydro-thiophen-3-yl)-2-p-tolyl-acetamide
| Molecular Formula | C13H15NO2S |
|---|---|
| Molecular Weight | 249.08 g/mol |
| LogP | 1.68582 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.08235 |
| Heavy Atoms | 17 |
| Complexity | 427.55054 |
Chemical Identifiers
| CAS Number | 957503-05-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CC(=O)NC2CCSC2=O |
Product Overview
2-(4-methylphenyl)-N-(2-oxothiolan-3-yl)acetamide (CAS 957503-05-8), with molecular formula C13H15NO2S and molecular weight 249.08 g/mol. IUPAC: 2-(4-methylphenyl)-N-(2-oxothiolan-3-yl)acetamide.
Chemical Property Profile of 2-(4-methylphenyl)-N-(2-oxothiolan-3-yl)acetamide
Property Insights of 2-(4-methylphenyl)-N-(2-oxothiolan-3-yl)acetamide
The XLogP value of 1.68582 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-methylphenyl)-N-(2-oxothiolan-3-yl)acetamide. With a topological polar surface area (TPSA) of 46.17 Ų, 2-(4-methylphenyl)-N-(2-oxothiolan-3-yl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-methylphenyl)-N-(2-oxothiolan-3-yl)acetamide 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 2-(4-methylphenyl)-N-(2-oxothiolan-3-yl)acetamide?
The CAS number of 2-(4-methylphenyl)-N-(2-oxothiolan-3-yl)acetamide is 957503-05-8.
What is the molecular formula of 2-(4-methylphenyl)-N-(2-oxothiolan-3-yl)acetamide?
The molecular formula of 2-(4-methylphenyl)-N-(2-oxothiolan-3-yl)acetamide is C13H15NO2S.
What is the molecular weight of 2-(4-methylphenyl)-N-(2-oxothiolan-3-yl)acetamide?
The molecular weight of 2-(4-methylphenyl)-N-(2-oxothiolan-3-yl)acetamide is 249.08 g/mol.
Where can I buy 2-(4-methylphenyl)-N-(2-oxothiolan-3-yl)acetamide?
You can request a quote for 2-(4-methylphenyl)-N-(2-oxothiolan-3-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-methylphenyl)-N-(2-oxothiolan-3-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-methylphenyl)-N-(2-oxothiolan-3-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.