5-Cyano-2-fluorobenzoic acid
TL;DR: 5-Cyano-2-fluorobenzoic acid (CAS 139339-45-0) is a chemical compound with molecular formula C8H4FNO2 and molecular weight 165.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-cyano-2-fluorobenzoic acid
Also Known As: 5-cyano-2-fluorobenzoic acid, 5-cyano-2-fluoro-benzoic Acid, BENZOIC ACID, 5-CYANO-2-FLUORO-, Intermediates-ZCF02121, 2-Fluoro-5-cyanobenzoic acid
| Molecular Formula | C8H4FNO2 |
|---|---|
| Molecular Weight | 165.02 g/mol |
| LogP | 1.39558 |
| Topological Polar Surface Area | 61.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 165.02261 |
| Heavy Atoms | 12 |
| Complexity | 367.81088 |
Chemical Identifiers
| CAS Number | 139339-45-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1C#N)C(=O)O)F |
Product Overview
5-Cyano-2-fluorobenzoic acid (CAS 139339-45-0), with molecular formula C8H4FNO2 and molecular weight 165.02 g/mol. IUPAC: 5-cyano-2-fluorobenzoic acid.
Chemical Property Profile of 5-Cyano-2-fluorobenzoic acid
Property Insights of 5-Cyano-2-fluorobenzoic acid
The XLogP value of 1.39558 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Cyano-2-fluorobenzoic acid. The TPSA of 61.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Cyano-2-fluorobenzoic acid. Following Lipinski's Rule of Five, 5-Cyano-2-fluorobenzoic acid has 1 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 5-Cyano-2-fluorobenzoic acid?
The CAS number of 5-Cyano-2-fluorobenzoic acid is 139339-45-0.
What is the molecular formula of 5-Cyano-2-fluorobenzoic acid?
The molecular formula of 5-Cyano-2-fluorobenzoic acid is C8H4FNO2.
What is the molecular weight of 5-Cyano-2-fluorobenzoic acid?
The molecular weight of 5-Cyano-2-fluorobenzoic acid is 165.02 g/mol.
Where can I buy 5-Cyano-2-fluorobenzoic acid?
You can request a quote for 5-Cyano-2-fluorobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Cyano-2-fluorobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Cyano-2-fluorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.