3-(4-Fluorophenyl)-2-oxopropanoic acid
TL;DR: 3-(4-Fluorophenyl)-2-oxopropanoic acid (CAS 7761-30-0) is a chemical compound with molecular formula C9H7FO3 and molecular weight 182.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-fluorophenyl)-2-oxopropanoic acid
Also Known As: 3-(4-Fluorophenyl)-2-oxopropanoic acid, p-fluorophenylpyruvic acid, 6-methoxy-2-phenyl-tetralone, 4-Fluoro-a-oxo-benzenepropanoic acid, 3-(4-Fluorophenyl)pyruvic acid
| Molecular Formula | C9H7FO3 |
|---|---|
| Molecular Weight | 182.04 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.03792 |
| Heavy Atoms | 13 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 7761-30-0 |
|---|---|
| SMILES | C1=CC(=CC=C1CC(=O)C(=O)O)F |
| InChIKey | UTTDJAPJOSBBIO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(4-Fluorophenyl)-2-oxopropanoic acid (CAS 7761-30-0), with molecular formula C9H7FO3 and molecular weight 182.04 g/mol. IUPAC: 3-(4-fluorophenyl)-2-oxopropanoic acid.
Chemical Property Profile of 3-(4-Fluorophenyl)-2-oxopropanoic acid
Property Insights of 3-(4-Fluorophenyl)-2-oxopropanoic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Fluorophenyl)-2-oxopropanoic acid. With a topological polar surface area (TPSA) of 54.4 Ų, 3-(4-Fluorophenyl)-2-oxopropanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Fluorophenyl)-2-oxopropanoic acid has 1 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-(4-Fluorophenyl)-2-oxopropanoic acid?
The CAS number of 3-(4-Fluorophenyl)-2-oxopropanoic acid is 7761-30-0.
What is the molecular formula of 3-(4-Fluorophenyl)-2-oxopropanoic acid?
The molecular formula of 3-(4-Fluorophenyl)-2-oxopropanoic acid is C9H7FO3.
What is the molecular weight of 3-(4-Fluorophenyl)-2-oxopropanoic acid?
The molecular weight of 3-(4-Fluorophenyl)-2-oxopropanoic acid is 182.04 g/mol.
Where can I buy 3-(4-Fluorophenyl)-2-oxopropanoic acid?
You can request a quote for 3-(4-Fluorophenyl)-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-(4-Fluorophenyl)-2-oxopropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Fluorophenyl)-2-oxopropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.