N-(2-cyano-4-nitrophenyl)-L-alanine
TL;DR: N-(2-cyano-4-nitrophenyl)-L-alanine (CAS 17430-04-5) is a chemical compound with molecular formula C10H9N3O4 and molecular weight 235.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-(2-cyano-4-nitroanilino)propanoic acid
Also Known As: N-(2-cyano-4-nitrophenyl)-L-alanine, (2S)-2-(2-cyano-4-nitroanilino)propanoic acid, (S)-2-((2-cyano-4-nitrophenyl)amino)propanoic acid, (2S)-2-[(2-cyano-4-nitro-phenyl)amino]propanoic Acid
| Molecular Formula | C10H9N3O4 |
|---|---|
| Molecular Weight | 235.06 g/mol |
| LogP | 1.35148 |
| Topological Polar Surface Area | 116.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.05931 |
| Heavy Atoms | 17 |
| Complexity | 506.76276 |
Chemical Identifiers
| CAS Number | 17430-04-5 |
|---|---|
| SMILES | C[C@@H](C(=O)O)NC1=C(C=C(C=C1)[N+](=O)[O-])C#N |
Product Overview
N-(2-cyano-4-nitrophenyl)-L-alanine (CAS 17430-04-5), with molecular formula C10H9N3O4 and molecular weight 235.06 g/mol. IUPAC: (2S)-2-(2-cyano-4-nitroanilino)propanoic acid.
Chemical Property Profile of N-(2-cyano-4-nitrophenyl)-L-alanine
Property Insights of N-(2-cyano-4-nitrophenyl)-L-alanine
The XLogP value of 1.35148 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-cyano-4-nitrophenyl)-L-alanine. The TPSA of 116.26 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-cyano-4-nitrophenyl)-L-alanine. Following Lipinski's Rule of Five, N-(2-cyano-4-nitrophenyl)-L-alanine has 2 hydrogen bond donor(s) and 5 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-cyano-4-nitrophenyl)-L-alanine?
The CAS number of N-(2-cyano-4-nitrophenyl)-L-alanine is 17430-04-5.
What is the molecular formula of N-(2-cyano-4-nitrophenyl)-L-alanine?
The molecular formula of N-(2-cyano-4-nitrophenyl)-L-alanine is C10H9N3O4.
What is the molecular weight of N-(2-cyano-4-nitrophenyl)-L-alanine?
The molecular weight of N-(2-cyano-4-nitrophenyl)-L-alanine is 235.06 g/mol.
Where can I buy N-(2-cyano-4-nitrophenyl)-L-alanine?
You can request a quote for N-(2-cyano-4-nitrophenyl)-L-alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-cyano-4-nitrophenyl)-L-alanine?
Yes, KEHONG BIO provides custom synthesis services for N-(2-cyano-4-nitrophenyl)-L-alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.