2-Cyano-6-fluorobenzoic acid
TL;DR: 2-Cyano-6-fluorobenzoic acid (CAS 90259-27-1) 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.
2-cyano-6-fluorobenzoic acid
Also Known As: 2-cyano-6-fluorobenzoic acid, 2-cyano-6-fluoro-benzoic Acid, 2-Cyano-6-fluorobenzoicacid, 4566AC, C-8345
| 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 | 90259-27-1 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)F)C(=O)O)C#N |
Product Overview
2-Cyano-6-fluorobenzoic acid (CAS 90259-27-1), with molecular formula C8H4FNO2 and molecular weight 165.02 g/mol. IUPAC: 2-cyano-6-fluorobenzoic acid.
Chemical Property Profile of 2-Cyano-6-fluorobenzoic acid
Property Insights of 2-Cyano-6-fluorobenzoic acid
The XLogP value of 1.39558 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyano-6-fluorobenzoic acid. The TPSA of 61.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyano-6-fluorobenzoic acid. Following Lipinski's Rule of Five, 2-Cyano-6-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 2-Cyano-6-fluorobenzoic acid?
The CAS number of 2-Cyano-6-fluorobenzoic acid is 90259-27-1.
What is the molecular formula of 2-Cyano-6-fluorobenzoic acid?
The molecular formula of 2-Cyano-6-fluorobenzoic acid is C8H4FNO2.
What is the molecular weight of 2-Cyano-6-fluorobenzoic acid?
The molecular weight of 2-Cyano-6-fluorobenzoic acid is 165.02 g/mol.
Where can I buy 2-Cyano-6-fluorobenzoic acid?
You can request a quote for 2-Cyano-6-fluorobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyano-6-fluorobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyano-6-fluorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.