N-(2-chloro-6-methylphenyl)-2-cyanoacetamide
TL;DR: N-(2-chloro-6-methylphenyl)-2-cyanoacetamide (CAS 87165-28-4) is a chemical compound with molecular formula C10H9ClN2O and molecular weight 208.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chloro-6-methylphenyl)-2-cyanoacetamide
Also Known As: N-(2-chloro-6-methylphenyl)-2-cyanoacetamide, N-(2-chloro-6-methyl-phenyl)-2-cyano-acetamide, Acetamide, N-(2-chloro-6-methylphenyl)-2-cyano-, AP-970/43492200, ACETAMIDE,N-(2-CHLORO-6-METHYLPHENYL)-2-CYANO-
| Molecular Formula | C10H9ClN2O |
|---|---|
| Molecular Weight | 208.04 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.04034 |
| Heavy Atoms | 14 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 87165-28-4 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)Cl)NC(=O)CC#N |
| InChIKey | GPCJKAFQBNQMBW-UHFFFAOYSA-N |
Product Overview
N-(2-chloro-6-methylphenyl)-2-cyanoacetamide (CAS 87165-28-4), with molecular formula C10H9ClN2O and molecular weight 208.04 g/mol. IUPAC: N-(2-chloro-6-methylphenyl)-2-cyanoacetamide.
Chemical Property Profile of N-(2-chloro-6-methylphenyl)-2-cyanoacetamide
Property Insights of N-(2-chloro-6-methylphenyl)-2-cyanoacetamide
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-chloro-6-methylphenyl)-2-cyanoacetamide. With a topological polar surface area (TPSA) of 52.9 Ų, N-(2-chloro-6-methylphenyl)-2-cyanoacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-chloro-6-methylphenyl)-2-cyanoacetamide 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-(2-chloro-6-methylphenyl)-2-cyanoacetamide?
The CAS number of N-(2-chloro-6-methylphenyl)-2-cyanoacetamide is 87165-28-4.
What is the molecular formula of N-(2-chloro-6-methylphenyl)-2-cyanoacetamide?
The molecular formula of N-(2-chloro-6-methylphenyl)-2-cyanoacetamide is C10H9ClN2O.
What is the molecular weight of N-(2-chloro-6-methylphenyl)-2-cyanoacetamide?
The molecular weight of N-(2-chloro-6-methylphenyl)-2-cyanoacetamide is 208.04 g/mol.
Where can I buy N-(2-chloro-6-methylphenyl)-2-cyanoacetamide?
You can request a quote for N-(2-chloro-6-methylphenyl)-2-cyanoacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-chloro-6-methylphenyl)-2-cyanoacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-chloro-6-methylphenyl)-2-cyanoacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.