2,2,2-Trifluoroethyl benzenesulfonate
TL;DR: 2,2,2-Trifluoroethyl benzenesulfonate (CAS 339-48-0) is a chemical compound with molecular formula C8H7F3O3S and molecular weight 240.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoroethyl benzenesulfonate
Also Known As: 2,2,2-trifluoroethyl benzenesulfonate, 2,2,2-Trifluoroethylbenzenesulfonate, 2,2,2-trifluoroethoxysulfonylbenzene, 2,2,2-trifluoroethyl-benzenesulfonate, 2,2,2-trifluoroethylbenzene sulphonate
| Molecular Formula | C8H7F3O3S |
|---|---|
| Molecular Weight | 240.01 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.0068 |
| Heavy Atoms | 15 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 339-48-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)OCC(F)(F)F |
| InChIKey | ABRHGSTXPVUNBK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2,2-Trifluoroethyl benzenesulfonate (CAS 339-48-0), with molecular formula C8H7F3O3S and molecular weight 240.01 g/mol. IUPAC: 2,2,2-trifluoroethyl benzenesulfonate.
Chemical Property Profile of 2,2,2-Trifluoroethyl benzenesulfonate
Property Insights of 2,2,2-Trifluoroethyl benzenesulfonate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,2-Trifluoroethyl benzenesulfonate. With a topological polar surface area (TPSA) of 51.8 Ų, 2,2,2-Trifluoroethyl benzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,2-Trifluoroethyl benzenesulfonate has 0 hydrogen bond donor(s) and 6 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 2,2,2-Trifluoroethyl benzenesulfonate?
The CAS number of 2,2,2-Trifluoroethyl benzenesulfonate is 339-48-0.
What is the molecular formula of 2,2,2-Trifluoroethyl benzenesulfonate?
The molecular formula of 2,2,2-Trifluoroethyl benzenesulfonate is C8H7F3O3S.
What is the molecular weight of 2,2,2-Trifluoroethyl benzenesulfonate?
The molecular weight of 2,2,2-Trifluoroethyl benzenesulfonate is 240.01 g/mol.
Where can I buy 2,2,2-Trifluoroethyl benzenesulfonate?
You can request a quote for 2,2,2-Trifluoroethyl benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,2-Trifluoroethyl benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-Trifluoroethyl benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.