N-(2-chloro-5-nitrophenyl)-2-cyanoacetamide
TL;DR: N-(2-chloro-5-nitrophenyl)-2-cyanoacetamide (CAS 544669-15-0) is a chemical compound with molecular formula C9H6ClN3O3 and molecular weight 239.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chloro-5-nitrophenyl)-2-cyanoacetamide
Also Known As: N-(2-chloro-5-nitrophenyl)-2-cyanoacetamide, N-(2-chloro-5-nitro-phenyl)-2-cyano-acetamide
| Molecular Formula | C9H6ClN3O3 |
|---|---|
| Molecular Weight | 239.01 g/mol |
| LogP | 2.10038 |
| Topological Polar Surface Area | 96.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.00977 |
| Heavy Atoms | 16 |
| Complexity | 481.3778 |
Chemical Identifiers
| CAS Number | 544669-15-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])NC(=O)CC#N)Cl |
Product Overview
N-(2-chloro-5-nitrophenyl)-2-cyanoacetamide (CAS 544669-15-0), with molecular formula C9H6ClN3O3 and molecular weight 239.01 g/mol. IUPAC: N-(2-chloro-5-nitrophenyl)-2-cyanoacetamide.
Chemical Property Profile of N-(2-chloro-5-nitrophenyl)-2-cyanoacetamide
Property Insights of N-(2-chloro-5-nitrophenyl)-2-cyanoacetamide
The XLogP value of 2.10038 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-chloro-5-nitrophenyl)-2-cyanoacetamide. The TPSA of 96.03 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-chloro-5-nitrophenyl)-2-cyanoacetamide. Following Lipinski's Rule of Five, N-(2-chloro-5-nitrophenyl)-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-(2-chloro-5-nitrophenyl)-2-cyanoacetamide?
The CAS number of N-(2-chloro-5-nitrophenyl)-2-cyanoacetamide is 544669-15-0.
What is the molecular formula of N-(2-chloro-5-nitrophenyl)-2-cyanoacetamide?
The molecular formula of N-(2-chloro-5-nitrophenyl)-2-cyanoacetamide is C9H6ClN3O3.
What is the molecular weight of N-(2-chloro-5-nitrophenyl)-2-cyanoacetamide?
The molecular weight of N-(2-chloro-5-nitrophenyl)-2-cyanoacetamide is 239.01 g/mol.
Where can I buy N-(2-chloro-5-nitrophenyl)-2-cyanoacetamide?
You can request a quote for N-(2-chloro-5-nitrophenyl)-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-5-nitrophenyl)-2-cyanoacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-chloro-5-nitrophenyl)-2-cyanoacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.