1-Perfluoromethylcyclohexane-1-sulfonic acid
TL;DR: 1-Perfluoromethylcyclohexane-1-sulfonic acid (CAS 72441-89-5) is a chemical compound with molecular formula C7HF13O3S and molecular weight 411.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,3,3,4,4,5,5,6,6-decafluoro-1-(trifluoromethyl)cyclohexane-1-sulfonic acid
Also Known As: 1-Perfluoromethylcyclohexane-1-sulfonic acid, 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(trifluoromethyl)cyclohexane-1-sulfonic Acid, Cyclohexanesulfonic acid, decafluoro(trifluoromethyl)-, RefChem:233007
| Molecular Formula | C7HF13O3S |
|---|---|
| Molecular Weight | 411.94 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 1 |
| Exact Mass | 411.94388 |
| Heavy Atoms | 24 |
| Complexity | 609.0 |
Chemical Identifiers
| CAS Number | 72441-89-5 |
|---|---|
| SMILES | C1(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)S(=O)(=O)O |
| InChIKey | MNVKTKIHXLQSLM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Perfluoromethylcyclohexane-1-sulfonic acid (CAS 72441-89-5), with molecular formula C7HF13O3S and molecular weight 411.94 g/mol. IUPAC: 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(trifluoromethyl)cyclohexane-1-sulfonic acid.
Chemical Property Profile of 1-Perfluoromethylcyclohexane-1-sulfonic acid
Property Insights of 1-Perfluoromethylcyclohexane-1-sulfonic acid
The XLogP value of 3.2 indicates that 1-Perfluoromethylcyclohexane-1-sulfonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Perfluoromethylcyclohexane-1-sulfonic acid. Following Lipinski's Rule of Five, 1-Perfluoromethylcyclohexane-1-sulfonic acid has 1 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Perfluoromethylcyclohexane-1-sulfonic acid?
The CAS number of 1-Perfluoromethylcyclohexane-1-sulfonic acid is 72441-89-5.
What is the molecular formula of 1-Perfluoromethylcyclohexane-1-sulfonic acid?
The molecular formula of 1-Perfluoromethylcyclohexane-1-sulfonic acid is C7HF13O3S.
What is the molecular weight of 1-Perfluoromethylcyclohexane-1-sulfonic acid?
The molecular weight of 1-Perfluoromethylcyclohexane-1-sulfonic acid is 411.94 g/mol.
Where can I buy 1-Perfluoromethylcyclohexane-1-sulfonic acid?
You can request a quote for 1-Perfluoromethylcyclohexane-1-sulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Perfluoromethylcyclohexane-1-sulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Perfluoromethylcyclohexane-1-sulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.