3-(4-fluorophenoxy)benzoic Acid
TL;DR: 3-(4-fluorophenoxy)benzoic Acid (CAS 129623-62-7) 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.
3-(4-fluorophenoxy)benzoic acid
Also Known As: 3-(4-fluorophenoxy)benzoic Acid, Benzoicacid, 3-(4-fluorophenoxy)-, 3-(4-fluorophenoxy)benzoicAcid, 3PBD-Q05-0, Benzoicacid,3-(4-fluorophenoxy)-
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 | 261.0 |
| SMILES | C1=CC(=CC(=C1)OC2=CC=C(C=C2)F)C(=O)O |
| InChIKey | JEZVFQIMFSGLFL-UHFFFAOYSA-N |
Chemical Property Profile of 3-(4-fluorophenoxy)benzoic Acid
Property Insights of 3-(4-fluorophenoxy)benzoic Acid
The XLogP value of 4.0 indicates that 3-(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, 3-(4-fluorophenoxy)benzoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(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 3-(4-fluorophenoxy)benzoic Acid?
The CAS number of 3-(4-fluorophenoxy)benzoic Acid is 129623-62-7.
What is the molecular formula of 3-(4-fluorophenoxy)benzoic Acid?
The molecular formula of 3-(4-fluorophenoxy)benzoic Acid is C13H9FO3.
What is the molecular weight of 3-(4-fluorophenoxy)benzoic Acid?
The molecular weight of 3-(4-fluorophenoxy)benzoic Acid is 232.05357 g/mol.
Where can I buy 3-(4-fluorophenoxy)benzoic Acid?
You can request a quote for 3-(4-fluorophenoxy)benzoic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(4-fluorophenoxy)benzoic Acid?
Yes, CoreyChem provides custom synthesis services for 3-(4-fluorophenoxy)benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.