3-(4-Fluorophenyl)benzoate
TL;DR: 3-(4-Fluorophenyl)benzoate (CAS 10540-39-3) is a chemical compound with molecular formula C13H8FO2- and molecular weight 215.05083 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-fluorophenyl)benzoate
Also Known As: 3-(4-fluorophenyl)benzoate
Technical Specifications
| Molecular Formula | C13H8FO2- |
| Molecular Weight | 215.05083 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 40.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 215.05083 Da |
| Heavy Atoms | 16 |
| Complexity | 241.0 |
| SMILES | C1=CC(=CC(=C1)C(=O)[O-])C2=CC=C(C=C2)F |
| InChIKey | YUQPLNXKGVRIAJ-UHFFFAOYSA-M |
Chemical Property Profile of 3-(4-Fluorophenyl)benzoate
Property Insights of 3-(4-Fluorophenyl)benzoate
The XLogP value of 3.8 indicates that 3-(4-Fluorophenyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.1 Ų, 3-(4-Fluorophenyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Fluorophenyl)benzoate has 0 hydrogen bond donor(s) and 3 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-Fluorophenyl)benzoate?
The CAS number of 3-(4-Fluorophenyl)benzoate is 10540-39-3.
What is the molecular formula of 3-(4-Fluorophenyl)benzoate?
The molecular formula of 3-(4-Fluorophenyl)benzoate is C13H8FO2-.
What is the molecular weight of 3-(4-Fluorophenyl)benzoate?
The molecular weight of 3-(4-Fluorophenyl)benzoate is 215.05083 g/mol.
Where can I buy 3-(4-Fluorophenyl)benzoate?
You can request a quote for 3-(4-Fluorophenyl)benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(4-Fluorophenyl)benzoate?
Yes, CoreyChem provides custom synthesis services for 3-(4-Fluorophenyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.