Sodium 3-fluorobenzoate
TL;DR: Sodium 3-fluorobenzoate (CAS 499-57-0) is a chemical compound with molecular formula C7H4FNaO2 and molecular weight 162.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 3-fluorobenzoate
Also Known As: Sodium 3-fluorobenzoate, sodium;3-fluorobenzoate, sodium,3-fluorobenzoate, 3-FLUOROBENZOIC ACID SODIUM, SODIUM3-FLUOROBENZOATE
| Molecular Formula | C7H4FNaO2 |
|---|---|
| Molecular Weight | 162.01 g/mol |
| LogP | -2.8068 |
| Topological Polar Surface Area | 40.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 162.00931 |
| Heavy Atoms | 11 |
| Complexity | 262.3724 |
Chemical Identifiers
| CAS Number | 499-57-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)C(=O)[O-].[Na+] |
Product Overview
Sodium 3-fluorobenzoate (CAS 499-57-0), with molecular formula C7H4FNaO2 and molecular weight 162.01 g/mol. IUPAC: sodium 3-fluorobenzoate.
Chemical Property Profile of Sodium 3-fluorobenzoate
Property Insights of Sodium 3-fluorobenzoate
The XLogP value of -2.8068 indicates that Sodium 3-fluorobenzoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.13 Ų, Sodium 3-fluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sodium 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 Sodium 3-fluorobenzoate?
The CAS number of Sodium 3-fluorobenzoate is 499-57-0.
What is the molecular formula of Sodium 3-fluorobenzoate?
The molecular formula of Sodium 3-fluorobenzoate is C7H4FNaO2.
What is the molecular weight of Sodium 3-fluorobenzoate?
The molecular weight of Sodium 3-fluorobenzoate is 162.01 g/mol.
Where can I buy Sodium 3-fluorobenzoate?
You can request a quote for Sodium 3-fluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sodium 3-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Sodium 3-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.