3-(4-Fluorophenyl)benzoic acid
TL;DR: 3-(4-Fluorophenyl)benzoic acid (CAS 13227-01-5) is a chemical compound with molecular formula C13H9FO2 and molecular weight 216.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-fluorophenyl)benzoic acid
Also Known As: 3-(4-Fluorophenyl)benzoic acid, 4'-fluorobiphenyl-3-carboxylic acid, 4'-Fluoro-[1,1'-biphenyl]-3-carboxylic acid, 3-Biphenyl-4'-fluoro-carboxylic acid, 4'-Fluoro-biphenyl-3-carboxylic acid
| Molecular Formula | C13H9FO2 |
|---|---|
| Molecular Weight | 216.06 g/mol |
| LogP | 3.1909 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.05865 |
| Heavy Atoms | 16 |
| Complexity | 517.71075 |
Chemical Identifiers
| CAS Number | 13227-01-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(=O)O)C2=CC=C(C=C2)F |
Product Overview
3-(4-Fluorophenyl)benzoic acid (CAS 13227-01-5), with molecular formula C13H9FO2 and molecular weight 216.06 g/mol. IUPAC: 3-(4-fluorophenyl)benzoic acid.
Chemical Property Profile of 3-(4-Fluorophenyl)benzoic acid
Property Insights of 3-(4-Fluorophenyl)benzoic acid
The XLogP value of 3.1909 indicates that 3-(4-Fluorophenyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3-(4-Fluorophenyl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Fluorophenyl)benzoic acid has 1 hydrogen bond donor(s) and 1 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)benzoic acid?
The CAS number of 3-(4-Fluorophenyl)benzoic acid is 13227-01-5.
What is the molecular formula of 3-(4-Fluorophenyl)benzoic acid?
The molecular formula of 3-(4-Fluorophenyl)benzoic acid is C13H9FO2.
What is the molecular weight of 3-(4-Fluorophenyl)benzoic acid?
The molecular weight of 3-(4-Fluorophenyl)benzoic acid is 216.06 g/mol.
Where can I buy 3-(4-Fluorophenyl)benzoic acid?
You can request a quote for 3-(4-Fluorophenyl)benzoic 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)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Fluorophenyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.