N-(4-chloro-2,5-dimethoxyphenyl)-2-cyanoacetamide
TL;DR: N-(4-chloro-2,5-dimethoxyphenyl)-2-cyanoacetamide (CAS 1219146-99-2) is a chemical compound with molecular formula C11H11ClN2O3 and molecular weight 254.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chloro-2,5-dimethoxyphenyl)-2-cyanoacetamide
Also Known As: N-(4-chloro-2,5-dimethoxyphenyl)-2-cyanoacetamide, N-(4-chloro-2,5-dimethoxy-phenyl)-2-cyano-acetamide, 1-[2-Nitro-4-(trifluoromethyl)phenyl]piperidine-2-carboxylic acid
| Molecular Formula | C11H11ClN2O3 |
|---|---|
| Molecular Weight | 254.05 g/mol |
| LogP | 2.20938 |
| Topological Polar Surface Area | 71.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.04582 |
| Heavy Atoms | 17 |
| Complexity | 468.5197 |
Chemical Identifiers
| CAS Number | 1219146-99-2 |
|---|---|
| SMILES | COC1=CC(=C(C=C1NC(=O)CC#N)OC)Cl |
Product Overview
N-(4-chloro-2,5-dimethoxyphenyl)-2-cyanoacetamide (CAS 1219146-99-2), with molecular formula C11H11ClN2O3 and molecular weight 254.05 g/mol. IUPAC: N-(4-chloro-2,5-dimethoxyphenyl)-2-cyanoacetamide.
Chemical Property Profile of N-(4-chloro-2,5-dimethoxyphenyl)-2-cyanoacetamide
Property Insights of N-(4-chloro-2,5-dimethoxyphenyl)-2-cyanoacetamide
The XLogP value of 2.20938 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-chloro-2,5-dimethoxyphenyl)-2-cyanoacetamide. The TPSA of 71.35 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-chloro-2,5-dimethoxyphenyl)-2-cyanoacetamide. Following Lipinski's Rule of Five, N-(4-chloro-2,5-dimethoxyphenyl)-2-cyanoacetamide has 1 hydrogen bond donor(s) and 4 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-(4-chloro-2,5-dimethoxyphenyl)-2-cyanoacetamide?
The CAS number of N-(4-chloro-2,5-dimethoxyphenyl)-2-cyanoacetamide is 1219146-99-2.
What is the molecular formula of N-(4-chloro-2,5-dimethoxyphenyl)-2-cyanoacetamide?
The molecular formula of N-(4-chloro-2,5-dimethoxyphenyl)-2-cyanoacetamide is C11H11ClN2O3.
What is the molecular weight of N-(4-chloro-2,5-dimethoxyphenyl)-2-cyanoacetamide?
The molecular weight of N-(4-chloro-2,5-dimethoxyphenyl)-2-cyanoacetamide is 254.05 g/mol.
Where can I buy N-(4-chloro-2,5-dimethoxyphenyl)-2-cyanoacetamide?
You can request a quote for N-(4-chloro-2,5-dimethoxyphenyl)-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-(4-chloro-2,5-dimethoxyphenyl)-2-cyanoacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-chloro-2,5-dimethoxyphenyl)-2-cyanoacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.