2,3,5,6-Tetrafluoro-4-mercaptobenzoic Acid
TL;DR: 2,3,5,6-Tetrafluoro-4-mercaptobenzoic Acid (CAS 5211-44-9) is a chemical compound with molecular formula C7H2F4O2S and molecular weight 225.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,5,6-tetrafluoro-4-sulfanylbenzoic acid
Also Known As: 2,3,5,6-Tetrafluoro-4-mercaptobenzoic acid, BSH compound, 2,3,5,6-tetrafluoro-4-sulfanylbenzoic acid, 2,3,5,6-TETRAFLUORO-4-MERCAPTO-BENZOIC ACID, 2,3,5,6-tetrafluoro-4-sulfanyl-benzoic acid
| Molecular Formula | C7H2F4O2S |
|---|---|
| Molecular Weight | 225.97 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 225.97116 |
| Heavy Atoms | 14 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 5211-44-9 |
|---|---|
| SMILES | C1(=C(C(=C(C(=C1F)F)S)F)F)C(=O)O |
| InChIKey | USFMEWZQIHKRDP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3,5,6-Tetrafluoro-4-mercaptobenzoic Acid (CAS 5211-44-9), with molecular formula C7H2F4O2S and molecular weight 225.97 g/mol. IUPAC: 2,3,5,6-tetrafluoro-4-sulfanylbenzoic acid.
Chemical Property Profile of 2,3,5,6-Tetrafluoro-4-mercaptobenzoic Acid
Property Insights of 2,3,5,6-Tetrafluoro-4-mercaptobenzoic Acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,5,6-Tetrafluoro-4-mercaptobenzoic Acid. With a topological polar surface area (TPSA) of 38.3 Ų, 2,3,5,6-Tetrafluoro-4-mercaptobenzoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,5,6-Tetrafluoro-4-mercaptobenzoic Acid has 2 hydrogen bond donor(s) and 7 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 2,3,5,6-Tetrafluoro-4-mercaptobenzoic Acid?
The CAS number of 2,3,5,6-Tetrafluoro-4-mercaptobenzoic Acid is 5211-44-9.
What is the molecular formula of 2,3,5,6-Tetrafluoro-4-mercaptobenzoic Acid?
The molecular formula of 2,3,5,6-Tetrafluoro-4-mercaptobenzoic Acid is C7H2F4O2S.
What is the molecular weight of 2,3,5,6-Tetrafluoro-4-mercaptobenzoic Acid?
The molecular weight of 2,3,5,6-Tetrafluoro-4-mercaptobenzoic Acid is 225.97 g/mol.
Where can I buy 2,3,5,6-Tetrafluoro-4-mercaptobenzoic Acid?
You can request a quote for 2,3,5,6-Tetrafluoro-4-mercaptobenzoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,5,6-Tetrafluoro-4-mercaptobenzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 2,3,5,6-Tetrafluoro-4-mercaptobenzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.