3-chloro-N-(cyanomethyl)benzamide
TL;DR: 3-chloro-N-(cyanomethyl)benzamide (CAS 86741-36-8) is a chemical compound with molecular formula C9H7ClN2O and molecular weight 194.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-(cyanomethyl)benzamide
Also Known As: 3-chloro-N-(cyanomethyl)benzamide
| Molecular Formula | C9H7ClN2O |
|---|---|
| Molecular Weight | 194.02 g/mol |
| LogP | 1.59338 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.02469 |
| Heavy Atoms | 13 |
| Complexity | 356.8775 |
Chemical Identifiers
| CAS Number | 86741-36-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)C(=O)NCC#N |
Product Overview
3-chloro-N-(cyanomethyl)benzamide (CAS 86741-36-8), with molecular formula C9H7ClN2O and molecular weight 194.02 g/mol. IUPAC: 3-chloro-N-(cyanomethyl)benzamide.
Chemical Property Profile of 3-chloro-N-(cyanomethyl)benzamide
Property Insights of 3-chloro-N-(cyanomethyl)benzamide
The XLogP value of 1.59338 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-chloro-N-(cyanomethyl)benzamide. With a topological polar surface area (TPSA) of 52.89 Ų, 3-chloro-N-(cyanomethyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-N-(cyanomethyl)benzamide 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-chloro-N-(cyanomethyl)benzamide?
The CAS number of 3-chloro-N-(cyanomethyl)benzamide is 86741-36-8.
What is the molecular formula of 3-chloro-N-(cyanomethyl)benzamide?
The molecular formula of 3-chloro-N-(cyanomethyl)benzamide is C9H7ClN2O.
What is the molecular weight of 3-chloro-N-(cyanomethyl)benzamide?
The molecular weight of 3-chloro-N-(cyanomethyl)benzamide is 194.02 g/mol.
Where can I buy 3-chloro-N-(cyanomethyl)benzamide?
You can request a quote for 3-chloro-N-(cyanomethyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-N-(cyanomethyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-N-(cyanomethyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.