N-cyano-2-methylbenzamide
TL;DR: N-cyano-2-methylbenzamide (CAS 62995-73-7) 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.
N-cyano-2-methylbenzamide
Also Known As: N-cyano-2-methylbenzamide, TimTec1_000980, BENZAMIDE, N-CYANO-2-METHYL-, Benzamide, N-cyano-2-methyl- (9CI), N-(???methyl)(2-methylphenyl)carboxamide
| Molecular Formula | C9H8N2O |
|---|---|
| Molecular Weight | 160.06 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 160.06366 |
| Heavy Atoms | 12 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 62995-73-7 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)NC#N |
| InChIKey | OARPGCYYKTZRCW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-cyano-2-methylbenzamide (CAS 62995-73-7), with molecular formula C9H8N2O and molecular weight 160.06 g/mol. IUPAC: N-cyano-2-methylbenzamide.
Chemical Property Profile of N-cyano-2-methylbenzamide
Property Insights of N-cyano-2-methylbenzamide
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-cyano-2-methylbenzamide. With a topological polar surface area (TPSA) of 52.9 Ų, N-cyano-2-methylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-cyano-2-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 N-cyano-2-methylbenzamide?
The CAS number of N-cyano-2-methylbenzamide is 62995-73-7.
What is the molecular formula of N-cyano-2-methylbenzamide?
The molecular formula of N-cyano-2-methylbenzamide is C9H8N2O.
What is the molecular weight of N-cyano-2-methylbenzamide?
The molecular weight of N-cyano-2-methylbenzamide is 160.06 g/mol.
Where can I buy N-cyano-2-methylbenzamide?
You can request a quote for N-cyano-2-methylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-cyano-2-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-cyano-2-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.