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 295.06268 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(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
Technical Specifications
| Molecular Formula | C12H13N3O4S |
| Molecular Weight | 295.06268 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 144.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 295.06268 Da |
| Heavy Atoms | 20 |
| Complexity | 403.0 |
| SMILES | CSCC[C@@H](C(=O)O)NC1=C(C=C(C=C1)[N+](=O)[O-])C#N |
| InChIKey | FWZAPDSDUJYOPN-NSHDSACASA-N |
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 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-cyano-4-nitrophenyl)-L-methionine. The TPSA of 144.0 Ų indicates high polarity, suggesting N-(2-cyano-4-nitrophenyl)-L-methionine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(2-cyano-4-nitrophenyl)-L-methionine has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
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 295.06268 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 CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(2-cyano-4-nitrophenyl)-L-methionine?
Yes, CoreyChem 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.