N-(2-cyano-4-nitrophenyl)-L-valine
TL;DR: N-(2-cyano-4-nitrophenyl)-L-valine (CAS 1004869-22-0) is a chemical compound with molecular formula C12H13N3O4 and molecular weight 263.0906 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-(2-cyano-4-nitroanilino)-3-methylbutanoic acid
Also Known As: N-(2-cyano-4-nitrophenyl)-L-valine, (2S)-2-(2-cyano-4-nitroanilino)-3-methylbutanoic acid, (S)-2-((2-cyano-4-nitrophenyl)amino)-3-methylbutanoic acid, (2S)-2-[(2-cyano-4-nitro-phenyl)amino]-3-methyl-butanoic Acid
Technical Specifications
| Molecular Formula | C12H13N3O4 |
| Molecular Weight | 263.0906 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 263.0906 Da |
| Heavy Atoms | 19 |
| Complexity | 396.0 |
| SMILES | CC(C)[C@@H](C(=O)O)NC1=C(C=C(C=C1)[N+](=O)[O-])C#N |
| InChIKey | OGHRRRMXSCECGD-NSHDSACASA-N |
Chemical Property Profile of N-(2-cyano-4-nitrophenyl)-L-valine
Property Insights of N-(2-cyano-4-nitrophenyl)-L-valine
The XLogP value of 3.0 indicates that N-(2-cyano-4-nitrophenyl)-L-valine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-cyano-4-nitrophenyl)-L-valine. Following Lipinski's Rule of Five, N-(2-cyano-4-nitrophenyl)-L-valine 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
What is the CAS number of N-(2-cyano-4-nitrophenyl)-L-valine?
The CAS number of N-(2-cyano-4-nitrophenyl)-L-valine is 1004869-22-0.
What is the molecular formula of N-(2-cyano-4-nitrophenyl)-L-valine?
The molecular formula of N-(2-cyano-4-nitrophenyl)-L-valine is C12H13N3O4.
What is the molecular weight of N-(2-cyano-4-nitrophenyl)-L-valine?
The molecular weight of N-(2-cyano-4-nitrophenyl)-L-valine is 263.0906 g/mol.
Where can I buy N-(2-cyano-4-nitrophenyl)-L-valine?
You can request a quote for N-(2-cyano-4-nitrophenyl)-L-valine 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-valine?
Yes, CoreyChem provides custom synthesis services for N-(2-cyano-4-nitrophenyl)-L-valine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.