3-Fluorobenzoate
TL;DR: 3-Fluorobenzoate (CAS 2365-28-8) 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.
3-fluorobenzoate
Also Known As: 3-Fluorobenzoate, m-Fluorobenzoate, m-Fluorobenzoic acid, 3-FLUOROBENZOIC ACID, 3-Fluorobenzoic acidanion
| 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 | 257.53796 |
Chemical Identifiers
| CAS Number | 2365-28-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)C(=O)[O-] |
Product Overview
3-Fluorobenzoate (CAS 2365-28-8), with molecular formula C7H4FO2- and molecular weight 139.02 g/mol. IUPAC: 3-fluorobenzoate.
Chemical Property Profile of 3-Fluorobenzoate
Property Insights of 3-Fluorobenzoate
The XLogP value of 0.1892 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Fluorobenzoate. With a topological polar surface area (TPSA) of 40.13 Ų, 3-Fluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-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 3-Fluorobenzoate?
The CAS number of 3-Fluorobenzoate is 2365-28-8.
What is the molecular formula of 3-Fluorobenzoate?
The molecular formula of 3-Fluorobenzoate is C7H4FO2-.
What is the molecular weight of 3-Fluorobenzoate?
The molecular weight of 3-Fluorobenzoate is 139.02 g/mol.
Where can I buy 3-Fluorobenzoate?
You can request a quote for 3-Fluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.