N-(2-cyano-4-nitrophenyl)-L-leucine
TL;DR: N-(2-cyano-4-nitrophenyl)-L-leucine (CAS 1004948-01-9) is a chemical compound with molecular formula C13H15N3O4 and molecular weight 277.11 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-methylpentanoic acid
Also Known As: N-(2-cyano-4-nitrophenyl)-L-leucine, (2S)-2-(2-cyano-4-nitroanilino)-4-methylpentanoic acid, (S)-2-((2-cyano-4-nitrophenyl)amino)-4-methylpentanoic acid, (2S)-2-[(2-cyano-4-nitro-phenyl)amino]-4-methyl-pentanoic Acid
| Molecular Formula | C13H15N3O4 |
|---|---|
| Molecular Weight | 277.11 g/mol |
| LogP | 2.37768 |
| Topological Polar Surface Area | 116.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 277.10626 |
| Heavy Atoms | 20 |
| Complexity | 563.225 |
Chemical Identifiers
| CAS Number | 1004948-01-9 |
|---|---|
| SMILES | CC(C)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-leucine (CAS 1004948-01-9), with molecular formula C13H15N3O4 and molecular weight 277.11 g/mol. IUPAC: (2S)-2-(2-cyano-4-nitroanilino)-4-methylpentanoic acid.
Chemical Property Profile of N-(2-cyano-4-nitrophenyl)-L-leucine
Property Insights of N-(2-cyano-4-nitrophenyl)-L-leucine
The XLogP value of 2.37768 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-cyano-4-nitrophenyl)-L-leucine. The TPSA of 116.26 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-cyano-4-nitrophenyl)-L-leucine. Following Lipinski's Rule of Five, N-(2-cyano-4-nitrophenyl)-L-leucine 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-leucine?
The CAS number of N-(2-cyano-4-nitrophenyl)-L-leucine is 1004948-01-9.
What is the molecular formula of N-(2-cyano-4-nitrophenyl)-L-leucine?
The molecular formula of N-(2-cyano-4-nitrophenyl)-L-leucine is C13H15N3O4.
What is the molecular weight of N-(2-cyano-4-nitrophenyl)-L-leucine?
The molecular weight of N-(2-cyano-4-nitrophenyl)-L-leucine is 277.11 g/mol.
Where can I buy N-(2-cyano-4-nitrophenyl)-L-leucine?
You can request a quote for N-(2-cyano-4-nitrophenyl)-L-leucine 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-leucine?
Yes, KEHONG BIO provides custom synthesis services for N-(2-cyano-4-nitrophenyl)-L-leucine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.