4-(3-Fluorophenyl)benzoate
TL;DR: 4-(3-Fluorophenyl)benzoate (CAS 1841-58-3) is a chemical compound with molecular formula C13H8FO2- and molecular weight 215.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-fluorophenyl)benzoate
Also Known As: 4-(3-fluorophenyl)benzoate, 4-Biphenyl-3'-fluoro-carboxylicacid
| Molecular Formula | C13H8FO2- |
|---|---|
| Molecular Weight | 215.05 g/mol |
| LogP | 1.8562 |
| Topological Polar Surface Area | 40.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 215.05083 |
| Heavy Atoms | 16 |
| Complexity | 517.71075 |
Chemical Identifiers
| CAS Number | 1841-58-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)C2=CC=C(C=C2)C(=O)[O-] |
Product Overview
4-(3-Fluorophenyl)benzoate (CAS 1841-58-3), with molecular formula C13H8FO2- and molecular weight 215.05 g/mol. IUPAC: 4-(3-fluorophenyl)benzoate.
Chemical Property Profile of 4-(3-Fluorophenyl)benzoate
Property Insights of 4-(3-Fluorophenyl)benzoate
The XLogP value of 1.8562 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Fluorophenyl)benzoate. With a topological polar surface area (TPSA) of 40.13 Ų, 4-(3-Fluorophenyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-Fluorophenyl)benzoate has 0 hydrogen bond donor(s) and 2 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-(3-Fluorophenyl)benzoate?
The CAS number of 4-(3-Fluorophenyl)benzoate is 1841-58-3.
What is the molecular formula of 4-(3-Fluorophenyl)benzoate?
The molecular formula of 4-(3-Fluorophenyl)benzoate is C13H8FO2-.
What is the molecular weight of 4-(3-Fluorophenyl)benzoate?
The molecular weight of 4-(3-Fluorophenyl)benzoate is 215.05 g/mol.
Where can I buy 4-(3-Fluorophenyl)benzoate?
You can request a quote for 4-(3-Fluorophenyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-Fluorophenyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Fluorophenyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.