4-Cyano-2,3,5,6-tetrafluorobenzoic acid
TL;DR: 4-Cyano-2,3,5,6-tetrafluorobenzoic acid (CAS 17823-39-1) is a chemical compound with molecular formula C8HF4NO2 and molecular weight 218.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-cyano-2,3,5,6-tetrafluorobenzoic acid
Also Known As: 4-CYANO-2,3,5,6-TETRAFLUOROBENZOIC ACID, Benzoic acid, 4-cyano-2,3,5,6-tetrafluoro-, 4-cyano-2,3,5,6-tetrafluoro-benzoic Acid
| Molecular Formula | C8HF4NO2 |
|---|---|
| Molecular Weight | 218.99 g/mol |
| LogP | 1.81288 |
| Topological Polar Surface Area | 61.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 218.99434 |
| Heavy Atoms | 15 |
| Complexity | 463.39066 |
Chemical Identifiers
| CAS Number | 17823-39-1 |
|---|---|
| SMILES | C(#N)C1=C(C(=C(C(=C1F)F)C(=O)O)F)F |
Product Overview
4-Cyano-2,3,5,6-tetrafluorobenzoic acid (CAS 17823-39-1), with molecular formula C8HF4NO2 and molecular weight 218.99 g/mol. IUPAC: 4-cyano-2,3,5,6-tetrafluorobenzoic acid.
Chemical Property Profile of 4-Cyano-2,3,5,6-tetrafluorobenzoic acid
Property Insights of 4-Cyano-2,3,5,6-tetrafluorobenzoic acid
The XLogP value of 1.81288 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Cyano-2,3,5,6-tetrafluorobenzoic acid. The TPSA of 61.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Cyano-2,3,5,6-tetrafluorobenzoic acid. Following Lipinski's Rule of Five, 4-Cyano-2,3,5,6-tetrafluorobenzoic 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 4-Cyano-2,3,5,6-tetrafluorobenzoic acid?
The CAS number of 4-Cyano-2,3,5,6-tetrafluorobenzoic acid is 17823-39-1.
What is the molecular formula of 4-Cyano-2,3,5,6-tetrafluorobenzoic acid?
The molecular formula of 4-Cyano-2,3,5,6-tetrafluorobenzoic acid is C8HF4NO2.
What is the molecular weight of 4-Cyano-2,3,5,6-tetrafluorobenzoic acid?
The molecular weight of 4-Cyano-2,3,5,6-tetrafluorobenzoic acid is 218.99 g/mol.
Where can I buy 4-Cyano-2,3,5,6-tetrafluorobenzoic acid?
You can request a quote for 4-Cyano-2,3,5,6-tetrafluorobenzoic 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-2,3,5,6-tetrafluorobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyano-2,3,5,6-tetrafluorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.