4-(4-Fluorophenoxy)benzoic acid
TL;DR: 4-(4-Fluorophenoxy)benzoic acid (CAS 129623-61-6) is a chemical compound with molecular formula C13H9FO3 and molecular weight 232.05357 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-fluorophenoxy)benzoic acid
Also Known As: 4-(4-Fluorophenoxy)benzoic acid, Benzoic acid, 4-(4-fluorophenoxy)-, 4PBD-Q05-0, 4-4-fluoro-phenoxy-benzoic acid, 4-carboxy-4'-fluorodiphenyl ether
Technical Specifications
| Molecular Formula | C13H9FO3 |
| Molecular Weight | 232.05357 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.05357 Da |
| Heavy Atoms | 17 |
| Complexity | 253.0 |
| SMILES | C1=CC(=CC=C1C(=O)O)OC2=CC=C(C=C2)F |
| InChIKey | YYKALFXKRWCSLY-UHFFFAOYSA-N |
Chemical Property Profile of 4-(4-Fluorophenoxy)benzoic acid
Property Insights of 4-(4-Fluorophenoxy)benzoic acid
The XLogP value of 4.0 indicates that 4-(4-Fluorophenoxy)benzoic 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-(4-Fluorophenoxy)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Fluorophenoxy)benzoic 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
What is the CAS number of 4-(4-Fluorophenoxy)benzoic acid?
The CAS number of 4-(4-Fluorophenoxy)benzoic acid is 129623-61-6.
What is the molecular formula of 4-(4-Fluorophenoxy)benzoic acid?
The molecular formula of 4-(4-Fluorophenoxy)benzoic acid is C13H9FO3.
What is the molecular weight of 4-(4-Fluorophenoxy)benzoic acid?
The molecular weight of 4-(4-Fluorophenoxy)benzoic acid is 232.05357 g/mol.
Where can I buy 4-(4-Fluorophenoxy)benzoic acid?
You can request a quote for 4-(4-Fluorophenoxy)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(4-Fluorophenoxy)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 4-(4-Fluorophenoxy)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.