Barium pentafluorobenzenesulphonate
TL;DR: Barium pentafluorobenzenesulphonate (CAS 71735-31-4) is a chemical compound with molecular formula C6HF5O3S and molecular weight 247.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4,5,6-pentafluorobenzenesulfonic acid
Also Known As: PENTAFLUOROBENZENESULFONIC ACID, perfluorobenzenesulfonic acid, Pentafluorobenzenesulfonicacid, 2,3,4,5,6-pentafluorobenzenesulfonic acid, Barium pentafluorobenzenesulphonate
| Molecular Formula | C6HF5O3S |
|---|---|
| Molecular Weight | 247.96 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 247.95665 |
| Heavy Atoms | 15 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 71735-31-4 |
|---|---|
| SMILES | C1(=C(C(=C(C(=C1F)F)S(=O)(=O)O)F)F)F |
| InChIKey | IKMBXKGUMLSBOT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Barium pentafluorobenzenesulphonate (CAS 71735-31-4), with molecular formula C6HF5O3S and molecular weight 247.96 g/mol. IUPAC: 2,3,4,5,6-pentafluorobenzenesulfonic acid.
Chemical Property Profile of Barium pentafluorobenzenesulphonate
Property Insights of Barium pentafluorobenzenesulphonate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barium pentafluorobenzenesulphonate. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Barium pentafluorobenzenesulphonate. Following Lipinski's Rule of Five, Barium pentafluorobenzenesulphonate has 1 hydrogen bond donor(s) and 8 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 Barium pentafluorobenzenesulphonate?
The CAS number of Barium pentafluorobenzenesulphonate is 71735-31-4.
What is the molecular formula of Barium pentafluorobenzenesulphonate?
The molecular formula of Barium pentafluorobenzenesulphonate is C6HF5O3S.
What is the molecular weight of Barium pentafluorobenzenesulphonate?
The molecular weight of Barium pentafluorobenzenesulphonate is 247.96 g/mol.
Where can I buy Barium pentafluorobenzenesulphonate?
You can request a quote for Barium pentafluorobenzenesulphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Barium pentafluorobenzenesulphonate?
Yes, KEHONG BIO provides custom synthesis services for Barium pentafluorobenzenesulphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.