3-Cyanobenzamide
TL;DR: 3-Cyanobenzamide (CAS 3441-01-8) is a chemical compound with molecular formula C8H6N2O and molecular weight 146.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-cyanobenzamide
Also Known As: 3-Cyanobenzamide, m-Cyanobenzamide, 3-Cyano-benzamide, Benzamide, 3-cyano-, Benzamide, m-cyano-
| Molecular Formula | C8H6N2O |
|---|---|
| Molecular Weight | 146.05 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 66.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 146.04802 |
| Heavy Atoms | 11 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 3441-01-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(=O)N)C#N |
| InChIKey | PAQVSWFCADWSLB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Cyanobenzamide (CAS 3441-01-8), with molecular formula C8H6N2O and molecular weight 146.05 g/mol. IUPAC: 3-cyanobenzamide.
Chemical Property Profile of 3-Cyanobenzamide
Property Insights of 3-Cyanobenzamide
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Cyanobenzamide. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Cyanobenzamide. Following Lipinski's Rule of Five, 3-Cyanobenzamide 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 3-Cyanobenzamide?
The CAS number of 3-Cyanobenzamide is 3441-01-8.
What is the molecular formula of 3-Cyanobenzamide?
The molecular formula of 3-Cyanobenzamide is C8H6N2O.
What is the molecular weight of 3-Cyanobenzamide?
The molecular weight of 3-Cyanobenzamide is 146.05 g/mol.
Where can I buy 3-Cyanobenzamide?
You can request a quote for 3-Cyanobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Cyanobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-Cyanobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.