4-Cyano-2-fluorobenzoic acid
TL;DR: 4-Cyano-2-fluorobenzoic acid (CAS 164149-28-4) 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.
4-cyano-2-fluorobenzoic acid
Also Known As: 4-Cyano-2-fluorobenzoic acid, 2-Fluoro-4-cyanobenzoic acid, Benzoic acid, 4-cyano-2-fluoro-, Olaparib Impurity 25, 4-cyano-2-fluorobenzoicacid
| Molecular Formula | C8H4FNO2 |
|---|---|
| Molecular Weight | 165.02 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 61.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 165.02261 |
| Heavy Atoms | 12 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 164149-28-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1C#N)F)C(=O)O |
| InChIKey | KEJMSTJTAWACNI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Cyano-2-fluorobenzoic acid (CAS 164149-28-4), with molecular formula C8H4FNO2 and molecular weight 165.02 g/mol. IUPAC: 4-cyano-2-fluorobenzoic acid.
Chemical Property Profile of 4-Cyano-2-fluorobenzoic acid
Property Insights of 4-Cyano-2-fluorobenzoic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Cyano-2-fluorobenzoic acid. The TPSA of 61.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Cyano-2-fluorobenzoic acid. Following Lipinski's Rule of Five, 4-Cyano-2-fluorobenzoic acid has 1 hydrogen bond donor(s) and 4 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 4-Cyano-2-fluorobenzoic acid?
The CAS number of 4-Cyano-2-fluorobenzoic acid is 164149-28-4.
What is the molecular formula of 4-Cyano-2-fluorobenzoic acid?
The molecular formula of 4-Cyano-2-fluorobenzoic acid is C8H4FNO2.
What is the molecular weight of 4-Cyano-2-fluorobenzoic acid?
The molecular weight of 4-Cyano-2-fluorobenzoic acid is 165.02 g/mol.
Where can I buy 4-Cyano-2-fluorobenzoic acid?
You can request a quote for 4-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 4-Cyano-2-fluorobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyano-2-fluorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.