4-Fluorobenzoate
TL;DR: 4-Fluorobenzoate (CAS 2365-27-7) is a chemical compound with molecular formula C7H4FO2- and molecular weight 139.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-fluorobenzoate
Also Known As: 4-Fluorobenzoate, p-fluorobenzoate, p-Fluorobenzoic acid, sodium 4-fluorobenzoate, 4-FLUOROBENZOIC ACID
| Molecular Formula | C7H4FO2- |
|---|---|
| Molecular Weight | 139.02 g/mol |
| LogP | 0.1892 |
| Topological Polar Surface Area | 40.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 139.01953 |
| Heavy Atoms | 10 |
| Complexity | 240.28795 |
Chemical Identifiers
| CAS Number | 2365-27-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)[O-])F |
Product Overview
4-Fluorobenzoate (CAS 2365-27-7), with molecular formula C7H4FO2- and molecular weight 139.02 g/mol. IUPAC: 4-fluorobenzoate.
Chemical Property Profile of 4-Fluorobenzoate
Property Insights of 4-Fluorobenzoate
The XLogP value of 0.1892 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Fluorobenzoate. With a topological polar surface area (TPSA) of 40.13 Ų, 4-Fluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Fluorobenzoate 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-Fluorobenzoate?
The CAS number of 4-Fluorobenzoate is 2365-27-7.
What is the molecular formula of 4-Fluorobenzoate?
The molecular formula of 4-Fluorobenzoate is C7H4FO2-.
What is the molecular weight of 4-Fluorobenzoate?
The molecular weight of 4-Fluorobenzoate is 139.02 g/mol.
Where can I buy 4-Fluorobenzoate?
You can request a quote for 4-Fluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.