Ethanol, 2,2,2-trifluoro-, 1-(4-methylbenzenesulfonate)
TL;DR: Ethanol, 2,2,2-trifluoro-, 1-(4-methylbenzenesulfonate) (CAS 433-06-7) is a chemical compound with molecular formula C9H9F3O3S and molecular weight 254.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoroethyl 4-methylbenzenesulfonate
Also Known As: 2,2,2-Trifluoroethyl p-toluenesulfonate, 2,2,2-Trifluoroethyl 4-methylbenzenesulfonate, 2,2,2-Trifluoroethyl tosylate, trifluorethyltosylate, Trifluoroethanol tosylate
| Molecular Formula | C9H9F3O3S |
|---|---|
| Molecular Weight | 254.02 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.02245 |
| Heavy Atoms | 16 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 433-06-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC(F)(F)F |
| InChIKey | IGKCQDUYZULGBM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethanol, 2,2,2-trifluoro-, 1-(4-methylbenzenesulfonate) (CAS 433-06-7), with molecular formula C9H9F3O3S and molecular weight 254.02 g/mol. IUPAC: 2,2,2-trifluoroethyl 4-methylbenzenesulfonate.
Chemical Property Profile of Ethanol, 2,2,2-trifluoro-, 1-(4-methylbenzenesulfonate)
Property Insights of Ethanol, 2,2,2-trifluoro-, 1-(4-methylbenzenesulfonate)
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanol, 2,2,2-trifluoro-, 1-(4-methylbenzenesulfonate). With a topological polar surface area (TPSA) of 51.8 Ų, Ethanol, 2,2,2-trifluoro-, 1-(4-methylbenzenesulfonate) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanol, 2,2,2-trifluoro-, 1-(4-methylbenzenesulfonate) 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 Ethanol, 2,2,2-trifluoro-, 1-(4-methylbenzenesulfonate)?
The CAS number of Ethanol, 2,2,2-trifluoro-, 1-(4-methylbenzenesulfonate) is 433-06-7.
What is the molecular formula of Ethanol, 2,2,2-trifluoro-, 1-(4-methylbenzenesulfonate)?
The molecular formula of Ethanol, 2,2,2-trifluoro-, 1-(4-methylbenzenesulfonate) is C9H9F3O3S.
What is the molecular weight of Ethanol, 2,2,2-trifluoro-, 1-(4-methylbenzenesulfonate)?
The molecular weight of Ethanol, 2,2,2-trifluoro-, 1-(4-methylbenzenesulfonate) is 254.02 g/mol.
Where can I buy Ethanol, 2,2,2-trifluoro-, 1-(4-methylbenzenesulfonate)?
You can request a quote for Ethanol, 2,2,2-trifluoro-, 1-(4-methylbenzenesulfonate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanol, 2,2,2-trifluoro-, 1-(4-methylbenzenesulfonate)?
Yes, KEHONG BIO provides custom synthesis services for Ethanol, 2,2,2-trifluoro-, 1-(4-methylbenzenesulfonate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.