![3-Benzyl-4-[(4-nitrophenyl)amino]-4-oxobutanoic acid structure](/static/products/3646/364620-28-0.webp)
3-Benzyl-4-[(4-nitrophenyl)amino]-4-oxobutanoic acid
TL;DR: 3-Benzyl-4-[(4-nitrophenyl)amino]-4-oxobutanoic acid (CAS 364620-28-0) is a chemical compound with molecular formula C17H16N2O5 and molecular weight 328.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-4-(4-nitroanilino)-4-oxobutanoic acid
Also Known As: 3-benzyl-4-[(4-nitrophenyl)amino]-4-oxobutanoic acid, 3-benzyl-4-(4-nitroanilino)-4-oxobutanoic acid, 3-benzyl-4-keto-4-(4-nitroanilino)butyric acid, 3-benzyl-4-((4-nitrophenyl)amino)-4-oxobutanoic acid, 4-(4-nitroanilino)-4-oxo-3-(phenylmethyl)butanoic acid
| Molecular Formula | C17H16N2O5 |
|---|---|
| Molecular Weight | 328.11 g/mol |
| LogP | 2.8669 |
| Topological Polar Surface Area | 109.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 328.10593 |
| Heavy Atoms | 24 |
| Complexity | 728.40594 |
Chemical Identifiers
| CAS Number | 364620-28-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(CC(=O)O)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
3-Benzyl-4-[(4-nitrophenyl)amino]-4-oxobutanoic acid (CAS 364620-28-0), with molecular formula C17H16N2O5 and molecular weight 328.11 g/mol. IUPAC: 3-benzyl-4-(4-nitroanilino)-4-oxobutanoic acid.
Chemical Property Profile of 3-Benzyl-4-[(4-nitrophenyl)amino]-4-oxobutanoic acid
Property Insights of 3-Benzyl-4-[(4-nitrophenyl)amino]-4-oxobutanoic acid
The XLogP value of 2.8669 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Benzyl-4-[(4-nitrophenyl)amino]-4-oxobutanoic acid. The TPSA of 109.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Benzyl-4-[(4-nitrophenyl)amino]-4-oxobutanoic acid. Following Lipinski's Rule of Five, 3-Benzyl-4-[(4-nitrophenyl)amino]-4-oxobutanoic acid 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 3-Benzyl-4-[(4-nitrophenyl)amino]-4-oxobutanoic acid?
The CAS number of 3-Benzyl-4-[(4-nitrophenyl)amino]-4-oxobutanoic acid is 364620-28-0.
What is the molecular formula of 3-Benzyl-4-[(4-nitrophenyl)amino]-4-oxobutanoic acid?
The molecular formula of 3-Benzyl-4-[(4-nitrophenyl)amino]-4-oxobutanoic acid is C17H16N2O5.
What is the molecular weight of 3-Benzyl-4-[(4-nitrophenyl)amino]-4-oxobutanoic acid?
The molecular weight of 3-Benzyl-4-[(4-nitrophenyl)amino]-4-oxobutanoic acid is 328.11 g/mol.
Where can I buy 3-Benzyl-4-[(4-nitrophenyl)amino]-4-oxobutanoic acid?
You can request a quote for 3-Benzyl-4-[(4-nitrophenyl)amino]-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzyl-4-[(4-nitrophenyl)amino]-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyl-4-[(4-nitrophenyl)amino]-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.