![N-[(4-nitrophenyl)carbonyl]valine structure](/static/products/715/71591-13-4.png)
N-[(4-nitrophenyl)carbonyl]valine
TL;DR: N-[(4-nitrophenyl)carbonyl]valine (CAS 71591-13-4) is a chemical compound with molecular formula C12H14N2O5 and molecular weight 266.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-[(4-nitrobenzoyl)amino]butanoic acid
Also Known As: N-(4-nitro-benzoyl)-valine, N-[(4-nitrophenyl)carbonyl]valine, 3-methyl-2-[(4-nitrobenzoyl)amino]butanoic Acid
| Molecular Formula | C12H14N2O5 |
|---|---|
| Molecular Weight | 266.09 g/mol |
| LogP | 1.4338 |
| Topological Polar Surface Area | 109.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 266.09027 |
| Heavy Atoms | 19 |
| Complexity | 495.34613 |
Chemical Identifiers
| CAS Number | 71591-13-4 |
|---|---|
| SMILES | CC(C)C(C(=O)O)NC(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
Product Overview
N-[(4-nitrophenyl)carbonyl]valine (CAS 71591-13-4), with molecular formula C12H14N2O5 and molecular weight 266.09 g/mol. IUPAC: 3-methyl-2-[(4-nitrobenzoyl)amino]butanoic acid.
Chemical Property Profile of N-[(4-nitrophenyl)carbonyl]valine
Property Insights of N-[(4-nitrophenyl)carbonyl]valine
The XLogP value of 1.4338 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(4-nitrophenyl)carbonyl]valine. The TPSA of 109.54 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(4-nitrophenyl)carbonyl]valine. Following Lipinski's Rule of Five, N-[(4-nitrophenyl)carbonyl]valine has 2 hydrogen bond donor(s) and 4 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-[(4-nitrophenyl)carbonyl]valine?
The CAS number of N-[(4-nitrophenyl)carbonyl]valine is 71591-13-4.
What is the molecular formula of N-[(4-nitrophenyl)carbonyl]valine?
The molecular formula of N-[(4-nitrophenyl)carbonyl]valine is C12H14N2O5.
What is the molecular weight of N-[(4-nitrophenyl)carbonyl]valine?
The molecular weight of N-[(4-nitrophenyl)carbonyl]valine is 266.09 g/mol.
Where can I buy N-[(4-nitrophenyl)carbonyl]valine?
You can request a quote for N-[(4-nitrophenyl)carbonyl]valine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(4-nitrophenyl)carbonyl]valine?
Yes, KEHONG BIO provides custom synthesis services for N-[(4-nitrophenyl)carbonyl]valine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.