3-Chloro-2,4,5,6-tetrafluorobenzoic acid
TL;DR: 3-Chloro-2,4,5,6-tetrafluorobenzoic acid (CAS 5360-81-6) is a chemical compound with molecular formula C7HClF4O2 and molecular weight 227.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-2,4,5,6-tetrafluorobenzoic acid
Also Known As: 3-Chloro-2,4,5,6-tetrafluorobenzoic acid, C7HClF4O2, 3-Chloro-2,4,5,6- tetrafluorobenzoic acid, 3-chloro-2,4,5,6-tetrafluoro-benzoic Acid, C127
| Molecular Formula | C7HClF4O2 |
|---|---|
| Molecular Weight | 227.96 g/mol |
| LogP | 2.5946 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.96011 |
| Heavy Atoms | 14 |
| Complexity | 389.6362 |
Chemical Identifiers
| CAS Number | 5360-81-6 |
|---|---|
| SMILES | C1(=C(C(=C(C(=C1F)Cl)F)F)F)C(=O)O |
Product Overview
3-Chloro-2,4,5,6-tetrafluorobenzoic acid (CAS 5360-81-6), with molecular formula C7HClF4O2 and molecular weight 227.96 g/mol. IUPAC: 3-chloro-2,4,5,6-tetrafluorobenzoic acid.
Chemical Property Profile of 3-Chloro-2,4,5,6-tetrafluorobenzoic acid
Property Insights of 3-Chloro-2,4,5,6-tetrafluorobenzoic acid
The XLogP value of 2.5946 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-2,4,5,6-tetrafluorobenzoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Chloro-2,4,5,6-tetrafluorobenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-2,4,5,6-tetrafluorobenzoic acid has 1 hydrogen bond donor(s) and 1 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 3-Chloro-2,4,5,6-tetrafluorobenzoic acid?
The CAS number of 3-Chloro-2,4,5,6-tetrafluorobenzoic acid is 5360-81-6.
What is the molecular formula of 3-Chloro-2,4,5,6-tetrafluorobenzoic acid?
The molecular formula of 3-Chloro-2,4,5,6-tetrafluorobenzoic acid is C7HClF4O2.
What is the molecular weight of 3-Chloro-2,4,5,6-tetrafluorobenzoic acid?
The molecular weight of 3-Chloro-2,4,5,6-tetrafluorobenzoic acid is 227.96 g/mol.
Where can I buy 3-Chloro-2,4,5,6-tetrafluorobenzoic acid?
You can request a quote for 3-Chloro-2,4,5,6-tetrafluorobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-2,4,5,6-tetrafluorobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-2,4,5,6-tetrafluorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.