N-(3-chloro-4-methoxyphenyl)-2-cyanoacetamide
TL;DR: N-(3-chloro-4-methoxyphenyl)-2-cyanoacetamide (CAS 438030-67-2) is a chemical compound with molecular formula C10H9ClN2O2 and molecular weight 224.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-methoxyphenyl)-2-cyanoacetamide
Also Known As: N-(3-chloro-4-methoxyphenyl)-2-cyanoacetamide, N-(3-Chloro-4-methoxy-phenyl)-2-cyano-acetamide, 2-(3-n-hexyl-4-methyl-2-oxo-2H-7-chromenyloxy)acetic acid
| Molecular Formula | C10H9ClN2O2 |
|---|---|
| Molecular Weight | 224.04 g/mol |
| LogP | 2.20078 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.03525 |
| Heavy Atoms | 15 |
| Complexity | 412.3737 |
Chemical Identifiers
| CAS Number | 438030-67-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)NC(=O)CC#N)Cl |
Product Overview
N-(3-chloro-4-methoxyphenyl)-2-cyanoacetamide (CAS 438030-67-2), with molecular formula C10H9ClN2O2 and molecular weight 224.04 g/mol. IUPAC: N-(3-chloro-4-methoxyphenyl)-2-cyanoacetamide.
Chemical Property Profile of N-(3-chloro-4-methoxyphenyl)-2-cyanoacetamide
Property Insights of N-(3-chloro-4-methoxyphenyl)-2-cyanoacetamide
The XLogP value of 2.20078 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-chloro-4-methoxyphenyl)-2-cyanoacetamide. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-chloro-4-methoxyphenyl)-2-cyanoacetamide. Following Lipinski's Rule of Five, N-(3-chloro-4-methoxyphenyl)-2-cyanoacetamide has 1 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 N-(3-chloro-4-methoxyphenyl)-2-cyanoacetamide?
The CAS number of N-(3-chloro-4-methoxyphenyl)-2-cyanoacetamide is 438030-67-2.
What is the molecular formula of N-(3-chloro-4-methoxyphenyl)-2-cyanoacetamide?
The molecular formula of N-(3-chloro-4-methoxyphenyl)-2-cyanoacetamide is C10H9ClN2O2.
What is the molecular weight of N-(3-chloro-4-methoxyphenyl)-2-cyanoacetamide?
The molecular weight of N-(3-chloro-4-methoxyphenyl)-2-cyanoacetamide is 224.04 g/mol.
Where can I buy N-(3-chloro-4-methoxyphenyl)-2-cyanoacetamide?
You can request a quote for N-(3-chloro-4-methoxyphenyl)-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-(3-chloro-4-methoxyphenyl)-2-cyanoacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-chloro-4-methoxyphenyl)-2-cyanoacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.