2-Hydroxy-4-(2-nitrophenyl)-4-oxobutanoic acid
TL;DR: 2-Hydroxy-4-(2-nitrophenyl)-4-oxobutanoic acid (CAS 81008-16-4) is a chemical compound with molecular formula C10H9NO6 and molecular weight 239.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-4-(2-nitrophenyl)-4-oxobutanoic acid
Also Known As: 4-(2-Nitrophenyl)-4-oxo-2-hydroxybutanoic acid, 2-hydroxy-4-(2-nitrophenyl)-4-oxobutanoic acid, alpha-Hydroxy-2-nitro-gamma-oxobenzenebutanoic acid, Benzenebutanoic acid, alpha-hydroxy-2-nitro-gamma-oxo-, Benzenebutanoic acid, a-hydroxy-2-nitro-g-oxo-
| Molecular Formula | C10H9NO6 |
|---|---|
| Molecular Weight | 239.04 g/mol |
| LogP | 0.6131 |
| Topological Polar Surface Area | 117.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 239.04298 |
| Heavy Atoms | 17 |
| Complexity | 469.61887 |
Chemical Identifiers
| CAS Number | 81008-16-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)CC(C(=O)O)O)[N+](=O)[O-] |
Product Overview
2-Hydroxy-4-(2-nitrophenyl)-4-oxobutanoic acid (CAS 81008-16-4), with molecular formula C10H9NO6 and molecular weight 239.04 g/mol. IUPAC: 2-hydroxy-4-(2-nitrophenyl)-4-oxobutanoic acid.
Chemical Property Profile of 2-Hydroxy-4-(2-nitrophenyl)-4-oxobutanoic acid
Property Insights of 2-Hydroxy-4-(2-nitrophenyl)-4-oxobutanoic acid
The XLogP value of 0.6131 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxy-4-(2-nitrophenyl)-4-oxobutanoic acid. The TPSA of 117.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Hydroxy-4-(2-nitrophenyl)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 2-Hydroxy-4-(2-nitrophenyl)-4-oxobutanoic acid 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 2-Hydroxy-4-(2-nitrophenyl)-4-oxobutanoic acid?
The CAS number of 2-Hydroxy-4-(2-nitrophenyl)-4-oxobutanoic acid is 81008-16-4.
What is the molecular formula of 2-Hydroxy-4-(2-nitrophenyl)-4-oxobutanoic acid?
The molecular formula of 2-Hydroxy-4-(2-nitrophenyl)-4-oxobutanoic acid is C10H9NO6.
What is the molecular weight of 2-Hydroxy-4-(2-nitrophenyl)-4-oxobutanoic acid?
The molecular weight of 2-Hydroxy-4-(2-nitrophenyl)-4-oxobutanoic acid is 239.04 g/mol.
Where can I buy 2-Hydroxy-4-(2-nitrophenyl)-4-oxobutanoic acid?
You can request a quote for 2-Hydroxy-4-(2-nitrophenyl)-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 2-Hydroxy-4-(2-nitrophenyl)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxy-4-(2-nitrophenyl)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.