4-Fluoro-3-phenoxybenzoic acid
TL;DR: 4-Fluoro-3-phenoxybenzoic acid (CAS 68359-53-5) is a chemical compound with molecular formula C13H9FO3 and molecular weight 232.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-fluoro-3-phenoxybenzoic acid
Also Known As: 4-Fluoro-3-phenoxybenzoic acid, Cyfluthrin metabolite, beta-cyfluthrin TP1, Benzoic acid, 4-fluoro-3-phenoxy-, Benzoic acid,4-fluoro-3-phenoxy-
| Molecular Formula | C13H9FO3 |
|---|---|
| Molecular Weight | 232.05 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.05357 |
| Heavy Atoms | 17 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 68359-53-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=C(C=CC(=C2)C(=O)O)F |
| InChIKey | VLXNXMTVRWIUJZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Fluoro-3-phenoxybenzoic acid (CAS 68359-53-5), with molecular formula C13H9FO3 and molecular weight 232.05 g/mol. IUPAC: 4-fluoro-3-phenoxybenzoic acid.
Chemical Property Profile of 4-Fluoro-3-phenoxybenzoic acid
Property Insights of 4-Fluoro-3-phenoxybenzoic acid
The XLogP value of 3.1 indicates that 4-Fluoro-3-phenoxybenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 4-Fluoro-3-phenoxybenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Fluoro-3-phenoxybenzoic 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 4-Fluoro-3-phenoxybenzoic acid?
The CAS number of 4-Fluoro-3-phenoxybenzoic acid is 68359-53-5.
What is the molecular formula of 4-Fluoro-3-phenoxybenzoic acid?
The molecular formula of 4-Fluoro-3-phenoxybenzoic acid is C13H9FO3.
What is the molecular weight of 4-Fluoro-3-phenoxybenzoic acid?
The molecular weight of 4-Fluoro-3-phenoxybenzoic acid is 232.05 g/mol.
Where can I buy 4-Fluoro-3-phenoxybenzoic acid?
You can request a quote for 4-Fluoro-3-phenoxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Fluoro-3-phenoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Fluoro-3-phenoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.