2-(cyanomethylsulfanyl)-N-(4-ethylphenyl)acetamide
TL;DR: 2-(cyanomethylsulfanyl)-N-(4-ethylphenyl)acetamide (CAS 497091-32-4) is a chemical compound with molecular formula C12H14N2OS and molecular weight 234.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(cyanomethylsulfanyl)-N-(4-ethylphenyl)acetamide
Also Known As: 2-(cyanomethylsulfanyl)-N-(4-ethylphenyl)acetamide, 2-[(cyanomethyl)sulfanyl]-N-(4-ethylphenyl)acetamide, 2-(cyanomethylthio)-N-(4-ethylphenyl)acetamide, AS-871/43393582
| Molecular Formula | C12H14N2OS |
|---|---|
| Molecular Weight | 234.08 g/mol |
| LogP | 2.44428 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 234.08269 |
| Heavy Atoms | 16 |
| Complexity | 381.0004 |
Chemical Identifiers
| CAS Number | 497091-32-4 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)NC(=O)CSCC#N |
Product Overview
2-(cyanomethylsulfanyl)-N-(4-ethylphenyl)acetamide (CAS 497091-32-4), with molecular formula C12H14N2OS and molecular weight 234.08 g/mol. IUPAC: 2-(cyanomethylsulfanyl)-N-(4-ethylphenyl)acetamide.
Chemical Property Profile of 2-(cyanomethylsulfanyl)-N-(4-ethylphenyl)acetamide
Property Insights of 2-(cyanomethylsulfanyl)-N-(4-ethylphenyl)acetamide
The XLogP value of 2.44428 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(cyanomethylsulfanyl)-N-(4-ethylphenyl)acetamide. With a topological polar surface area (TPSA) of 52.89 Ų, 2-(cyanomethylsulfanyl)-N-(4-ethylphenyl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(cyanomethylsulfanyl)-N-(4-ethylphenyl)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-(cyanomethylsulfanyl)-N-(4-ethylphenyl)acetamide?
The CAS number of 2-(cyanomethylsulfanyl)-N-(4-ethylphenyl)acetamide is 497091-32-4.
What is the molecular formula of 2-(cyanomethylsulfanyl)-N-(4-ethylphenyl)acetamide?
The molecular formula of 2-(cyanomethylsulfanyl)-N-(4-ethylphenyl)acetamide is C12H14N2OS.
What is the molecular weight of 2-(cyanomethylsulfanyl)-N-(4-ethylphenyl)acetamide?
The molecular weight of 2-(cyanomethylsulfanyl)-N-(4-ethylphenyl)acetamide is 234.08 g/mol.
Where can I buy 2-(cyanomethylsulfanyl)-N-(4-ethylphenyl)acetamide?
You can request a quote for 2-(cyanomethylsulfanyl)-N-(4-ethylphenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(cyanomethylsulfanyl)-N-(4-ethylphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(cyanomethylsulfanyl)-N-(4-ethylphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.