4-Cyano-N-methylbenzamide
TL;DR: 4-Cyano-N-methylbenzamide (CAS 36268-62-9) is a chemical compound with molecular formula C9H8N2O and molecular weight 160.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-cyano-N-methylbenzamide
Also Known As: 4-cyano-N-methylbenzamide, 4-cyano-N-methyl-benzamide, Benzamide, 4-cyano-N-methyl- (9CI), N-Methyl-4-cyanobenzamide, Benzamide, 4-cyano-N-methyl-
| Molecular Formula | C9H8N2O |
|---|---|
| Molecular Weight | 160.06 g/mol |
| LogP | 0.91788 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 160.06366 |
| Heavy Atoms | 12 |
| Complexity | 321.37692 |
Chemical Identifiers
| CAS Number | 36268-62-9 |
|---|---|
| SMILES | CNC(=O)C1=CC=C(C=C1)C#N |
Product Overview
4-Cyano-N-methylbenzamide (CAS 36268-62-9), with molecular formula C9H8N2O and molecular weight 160.06 g/mol. IUPAC: 4-cyano-N-methylbenzamide.
Chemical Property Profile of 4-Cyano-N-methylbenzamide
Property Insights of 4-Cyano-N-methylbenzamide
The XLogP value of 0.91788 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Cyano-N-methylbenzamide. With a topological polar surface area (TPSA) of 52.89 Ų, 4-Cyano-N-methylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Cyano-N-methylbenzamide 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-Cyano-N-methylbenzamide?
The CAS number of 4-Cyano-N-methylbenzamide is 36268-62-9.
What is the molecular formula of 4-Cyano-N-methylbenzamide?
The molecular formula of 4-Cyano-N-methylbenzamide is C9H8N2O.
What is the molecular weight of 4-Cyano-N-methylbenzamide?
The molecular weight of 4-Cyano-N-methylbenzamide is 160.06 g/mol.
Where can I buy 4-Cyano-N-methylbenzamide?
You can request a quote for 4-Cyano-N-methylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Cyano-N-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyano-N-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.