3-Chloro-N,N-bis(cyanomethyl)benzamide
TL;DR: 3-Chloro-N,N-bis(cyanomethyl)benzamide (CAS 54240-91-4) is a chemical compound with molecular formula C11H8ClN3O and molecular weight 233.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N,N-bis(cyanomethyl)benzamide
Also Known As: 3-Chloro-N,N-bis(cyanomethyl)benzamide, N1,N1-dicyanomethyl-3-chlorobenzamide, 3-Chloro-N,N-bis(cyanomethyl)benzamide #, Benzamide, 3-chloro-N,N-bis(cyanomethyl)-, (3-chlorophenyl)-N,N-bis(cyanomethyl)carboxamide
| Molecular Formula | C11H8ClN3O |
|---|---|
| Molecular Weight | 233.04 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 67.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.03558 |
| Heavy Atoms | 16 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 54240-91-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)C(=O)N(CC#N)CC#N |
| InChIKey | MCAVEAMXWWEXPR-UHFFFAOYSA-N |
Product Overview
3-Chloro-N,N-bis(cyanomethyl)benzamide (CAS 54240-91-4), with molecular formula C11H8ClN3O and molecular weight 233.04 g/mol. IUPAC: 3-chloro-N,N-bis(cyanomethyl)benzamide.
Chemical Property Profile of 3-Chloro-N,N-bis(cyanomethyl)benzamide
Property Insights of 3-Chloro-N,N-bis(cyanomethyl)benzamide
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-N,N-bis(cyanomethyl)benzamide. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Chloro-N,N-bis(cyanomethyl)benzamide. Following Lipinski's Rule of Five, 3-Chloro-N,N-bis(cyanomethyl)benzamide has 0 hydrogen bond donor(s) and 3 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,N-bis(cyanomethyl)benzamide?
The CAS number of 3-Chloro-N,N-bis(cyanomethyl)benzamide is 54240-91-4.
What is the molecular formula of 3-Chloro-N,N-bis(cyanomethyl)benzamide?
The molecular formula of 3-Chloro-N,N-bis(cyanomethyl)benzamide is C11H8ClN3O.
What is the molecular weight of 3-Chloro-N,N-bis(cyanomethyl)benzamide?
The molecular weight of 3-Chloro-N,N-bis(cyanomethyl)benzamide is 233.04 g/mol.
Where can I buy 3-Chloro-N,N-bis(cyanomethyl)benzamide?
You can request a quote for 3-Chloro-N,N-bis(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,N-bis(cyanomethyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-N,N-bis(cyanomethyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.