3-(2-Nitrophenyl)-2-oxopropanoic acid
TL;DR: 3-(2-Nitrophenyl)-2-oxopropanoic acid (CAS 5461-32-5) is a chemical compound with molecular formula C9H7NO5 and molecular weight 209.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-nitrophenyl)-2-oxopropanoic acid
Also Known As: 2-Nitrophenylpyruvic acid, 3-(2-nitrophenyl)-2-oxopropanoic acid, (2-Nitrophenyl)pyruvic acid, Pyruvic acid, (o-nitrophenyl)-, o-NITROPHENYLPYRUVIC ACID
| Molecular Formula | C9H7NO5 |
|---|---|
| Molecular Weight | 209.03 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 209.03242 |
| Heavy Atoms | 15 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 5461-32-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CC(=O)C(=O)O)[N+](=O)[O-] |
| InChIKey | CGCWRLDEYHZQCW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2-Nitrophenyl)-2-oxopropanoic acid (CAS 5461-32-5), with molecular formula C9H7NO5 and molecular weight 209.03 g/mol. IUPAC: 3-(2-nitrophenyl)-2-oxopropanoic acid.
Chemical Property Profile of 3-(2-Nitrophenyl)-2-oxopropanoic acid
Property Insights of 3-(2-Nitrophenyl)-2-oxopropanoic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Nitrophenyl)-2-oxopropanoic acid. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Nitrophenyl)-2-oxopropanoic acid. Following Lipinski's Rule of Five, 3-(2-Nitrophenyl)-2-oxopropanoic acid has 1 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 3-(2-Nitrophenyl)-2-oxopropanoic acid?
The CAS number of 3-(2-Nitrophenyl)-2-oxopropanoic acid is 5461-32-5.
What is the molecular formula of 3-(2-Nitrophenyl)-2-oxopropanoic acid?
The molecular formula of 3-(2-Nitrophenyl)-2-oxopropanoic acid is C9H7NO5.
What is the molecular weight of 3-(2-Nitrophenyl)-2-oxopropanoic acid?
The molecular weight of 3-(2-Nitrophenyl)-2-oxopropanoic acid is 209.03 g/mol.
Where can I buy 3-(2-Nitrophenyl)-2-oxopropanoic acid?
You can request a quote for 3-(2-Nitrophenyl)-2-oxopropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Nitrophenyl)-2-oxopropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Nitrophenyl)-2-oxopropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.