4-Acetamido-2-methylbenzonitrile
TL;DR: 4-Acetamido-2-methylbenzonitrile (CAS 321163-40-0) is a chemical compound with molecular formula C10H10N2O and molecular weight 174.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-cyano-3-methylphenyl)acetamide
Also Known As: 4-Acetamido-2-methylbenzonitrile, N-(4-cyano-3-methylphenyl)acetamide, 4'-Cyano-3'-methylacetanilide, 4-Acetamido-2-methyl benzonitrile, 5548AH
| Molecular Formula | C10H10N2O |
|---|---|
| Molecular Weight | 174.08 g/mol |
| LogP | 1.8251 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.07932 |
| Heavy Atoms | 13 |
| Complexity | 377.0014 |
Chemical Identifiers
| CAS Number | 321163-40-0 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)NC(=O)C)C#N |
Product Overview
4-Acetamido-2-methylbenzonitrile (CAS 321163-40-0), with molecular formula C10H10N2O and molecular weight 174.08 g/mol. IUPAC: N-(4-cyano-3-methylphenyl)acetamide.
Chemical Property Profile of 4-Acetamido-2-methylbenzonitrile
Property Insights of 4-Acetamido-2-methylbenzonitrile
The XLogP value of 1.8251 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Acetamido-2-methylbenzonitrile. With a topological polar surface area (TPSA) of 52.89 Ų, 4-Acetamido-2-methylbenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Acetamido-2-methylbenzonitrile has 1 hydrogen bond donor(s) and 2 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-Acetamido-2-methylbenzonitrile?
The CAS number of 4-Acetamido-2-methylbenzonitrile is 321163-40-0.
What is the molecular formula of 4-Acetamido-2-methylbenzonitrile?
The molecular formula of 4-Acetamido-2-methylbenzonitrile is C10H10N2O.
What is the molecular weight of 4-Acetamido-2-methylbenzonitrile?
The molecular weight of 4-Acetamido-2-methylbenzonitrile is 174.08 g/mol.
Where can I buy 4-Acetamido-2-methylbenzonitrile?
You can request a quote for 4-Acetamido-2-methylbenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Acetamido-2-methylbenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Acetamido-2-methylbenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.