2-Fluorobenzoate
TL;DR: 2-Fluorobenzoate (CAS 16426-56-5) 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.
2-fluorobenzoate
Also Known As: 2-Fluorobenzoate, 2-FLUOROBENZOIC ACID, RefChem:87148
| Molecular Formula | C7H4FO2- |
|---|---|
| Molecular Weight | 139.02 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 40.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 139.01953 |
| Heavy Atoms | 10 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 16426-56-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)[O-])F |
| InChIKey | NSTREUWFTAOOKS-UHFFFAOYSA-M |
Product Overview
2-Fluorobenzoate (CAS 16426-56-5), with molecular formula C7H4FO2- and molecular weight 139.02 g/mol. IUPAC: 2-fluorobenzoate.
Chemical Property Profile of 2-Fluorobenzoate
Property Insights of 2-Fluorobenzoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Fluorobenzoate. With a topological polar surface area (TPSA) of 40.1 Ų, 2-Fluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Fluorobenzoate 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
Frequently Asked Questions
What is the CAS number of 2-Fluorobenzoate?
The CAS number of 2-Fluorobenzoate is 16426-56-5.
What is the molecular formula of 2-Fluorobenzoate?
The molecular formula of 2-Fluorobenzoate is C7H4FO2-.
What is the molecular weight of 2-Fluorobenzoate?
The molecular weight of 2-Fluorobenzoate is 139.02 g/mol.
Where can I buy 2-Fluorobenzoate?
You can request a quote for 2-Fluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.