N-(2-cyano-4-nitrophenyl)-L-methionine
TL;DR: N-(2-cyano-4-nitrophenyl)-L-methionine (CAS 1004917-32-1) is a chemical compound with molecular formula C12H13N3O4S and molecular weight 295.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-(2-cyano-4-nitroanilino)-4-methylsulfanylbutanoic acid
Also Known As: N-(2-cyano-4-nitrophenyl)-L-methionine, (2S)-2-(2-cyano-4-nitroanilino)-4-methylsulfanylbutanoic acid, (S)-2-((2-cyano-4-nitrophenyl)amino)-4-(methylthio)butanoic acid, (2S)-2-[(2-cyano-4-nitro-phenyl)amino]-4-methylsulfanyl-butanoic Acid
| Molecular Formula | C12H13N3O4S |
|---|---|
| Molecular Weight | 295.06 g/mol |
| LogP | 2.08468 |
| Topological Polar Surface Area | 116.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 295.06268 |
| Heavy Atoms | 20 |
| Complexity | 556.12366 |
Chemical Identifiers
| CAS Number | 1004917-32-1 |
|---|---|
| SMILES | CSCC[C@@H](C(=O)O)NC1=C(C=C(C=C1)[N+](=O)[O-])C#N |
Product Overview
N-(2-cyano-4-nitrophenyl)-L-methionine (CAS 1004917-32-1), with molecular formula C12H13N3O4S and molecular weight 295.06 g/mol. IUPAC: (2S)-2-(2-cyano-4-nitroanilino)-4-methylsulfanylbutanoic acid.
Chemical Property Profile of N-(2-cyano-4-nitrophenyl)-L-methionine
Property Insights of N-(2-cyano-4-nitrophenyl)-L-methionine
The XLogP value of 2.08468 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-cyano-4-nitrophenyl)-L-methionine. The TPSA of 116.26 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-cyano-4-nitrophenyl)-L-methionine. Following Lipinski's Rule of Five, N-(2-cyano-4-nitrophenyl)-L-methionine has 2 hydrogen bond donor(s) and 6 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-methionine?
The CAS number of N-(2-cyano-4-nitrophenyl)-L-methionine is 1004917-32-1.
What is the molecular formula of N-(2-cyano-4-nitrophenyl)-L-methionine?
The molecular formula of N-(2-cyano-4-nitrophenyl)-L-methionine is C12H13N3O4S.
What is the molecular weight of N-(2-cyano-4-nitrophenyl)-L-methionine?
The molecular weight of N-(2-cyano-4-nitrophenyl)-L-methionine is 295.06 g/mol.
Where can I buy N-(2-cyano-4-nitrophenyl)-L-methionine?
You can request a quote for N-(2-cyano-4-nitrophenyl)-L-methionine 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-methionine?
Yes, KEHONG BIO provides custom synthesis services for N-(2-cyano-4-nitrophenyl)-L-methionine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.