2-(4-Fluorophenyl)-2-oxoacetic Acid
TL;DR: 2-(4-Fluorophenyl)-2-oxoacetic Acid (CAS 2251-76-5) is a chemical compound with molecular formula C8H5FO3 and molecular weight 168.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-fluorophenyl)-2-oxoacetic acid
Also Known As: 2-(4-fluorophenyl)-2-oxoacetic acid, (4-Fluorophenyl)glyoxylic acid, 2-(4-fluorophenyl)glyoxylic acid, 4-Fluorophenyloxoacetic acid, Benzeneacetic acid, 4-fluoro-a-oxo-
| Molecular Formula | C8H5FO3 |
|---|---|
| Molecular Weight | 168.02 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.02228 |
| Heavy Atoms | 12 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 2251-76-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)C(=O)O)F |
| InChIKey | YRGDGXWJSRZRAS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-Fluorophenyl)-2-oxoacetic Acid (CAS 2251-76-5), with molecular formula C8H5FO3 and molecular weight 168.02 g/mol. IUPAC: 2-(4-fluorophenyl)-2-oxoacetic acid.
Chemical Property Profile of 2-(4-Fluorophenyl)-2-oxoacetic Acid
Property Insights of 2-(4-Fluorophenyl)-2-oxoacetic Acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Fluorophenyl)-2-oxoacetic Acid. With a topological polar surface area (TPSA) of 54.4 Ų, 2-(4-Fluorophenyl)-2-oxoacetic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Fluorophenyl)-2-oxoacetic 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 2-(4-Fluorophenyl)-2-oxoacetic Acid?
The CAS number of 2-(4-Fluorophenyl)-2-oxoacetic Acid is 2251-76-5.
What is the molecular formula of 2-(4-Fluorophenyl)-2-oxoacetic Acid?
The molecular formula of 2-(4-Fluorophenyl)-2-oxoacetic Acid is C8H5FO3.
What is the molecular weight of 2-(4-Fluorophenyl)-2-oxoacetic Acid?
The molecular weight of 2-(4-Fluorophenyl)-2-oxoacetic Acid is 168.02 g/mol.
Where can I buy 2-(4-Fluorophenyl)-2-oxoacetic Acid?
You can request a quote for 2-(4-Fluorophenyl)-2-oxoacetic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Fluorophenyl)-2-oxoacetic Acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Fluorophenyl)-2-oxoacetic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.