2-Propanol, 1,1,1,3,3,3-hexafluoro-, 2-(4-methylbenzenesulfonate)
TL;DR: 2-Propanol, 1,1,1,3,3,3-hexafluoro-, 2-(4-methylbenzenesulfonate) (CAS 67674-48-0) is a chemical compound with molecular formula C10H8F6O3S and molecular weight 322.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1,3,3,3-hexafluoropropan-2-yl 4-methylbenzenesulfonate
Also Known As: Hexafluoroisopropyl tosylate, 1,1,1,3,3,3-Hexafluoroisopropyl p-Toluenesulfonate, 1,1,1,3,3,3-hexafluoropropan-2-yl 4-methylbenzenesulfonate, 2-Propanol, 1,1,1,3,3,3-hexafluoro-, 4-methylbenzenesulfonate, HEXAFLUOROISOPROPYLTOSYLATE
| Molecular Formula | C10H8F6O3S |
|---|---|
| Molecular Weight | 322.01 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 322.00983 |
| Heavy Atoms | 20 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 67674-48-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC(C(F)(F)F)C(F)(F)F |
| InChIKey | QGSVBFAODCJVIZ-UHFFFAOYSA-N |
Product Overview
2-Propanol, 1,1,1,3,3,3-hexafluoro-, 2-(4-methylbenzenesulfonate) (CAS 67674-48-0), with molecular formula C10H8F6O3S and molecular weight 322.01 g/mol. IUPAC: 1,1,1,3,3,3-hexafluoropropan-2-yl 4-methylbenzenesulfonate.
Chemical Property Profile of 2-Propanol, 1,1,1,3,3,3-hexafluoro-, 2-(4-methylbenzenesulfonate)
Property Insights of 2-Propanol, 1,1,1,3,3,3-hexafluoro-, 2-(4-methylbenzenesulfonate)
The XLogP value of 3.9 indicates that 2-Propanol, 1,1,1,3,3,3-hexafluoro-, 2-(4-methylbenzenesulfonate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, 2-Propanol, 1,1,1,3,3,3-hexafluoro-, 2-(4-methylbenzenesulfonate) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propanol, 1,1,1,3,3,3-hexafluoro-, 2-(4-methylbenzenesulfonate) has 0 hydrogen bond donor(s) and 9 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-Propanol, 1,1,1,3,3,3-hexafluoro-, 2-(4-methylbenzenesulfonate)?
The CAS number of 2-Propanol, 1,1,1,3,3,3-hexafluoro-, 2-(4-methylbenzenesulfonate) is 67674-48-0.
What is the molecular formula of 2-Propanol, 1,1,1,3,3,3-hexafluoro-, 2-(4-methylbenzenesulfonate)?
The molecular formula of 2-Propanol, 1,1,1,3,3,3-hexafluoro-, 2-(4-methylbenzenesulfonate) is C10H8F6O3S.
What is the molecular weight of 2-Propanol, 1,1,1,3,3,3-hexafluoro-, 2-(4-methylbenzenesulfonate)?
The molecular weight of 2-Propanol, 1,1,1,3,3,3-hexafluoro-, 2-(4-methylbenzenesulfonate) is 322.01 g/mol.
Where can I buy 2-Propanol, 1,1,1,3,3,3-hexafluoro-, 2-(4-methylbenzenesulfonate)?
You can request a quote for 2-Propanol, 1,1,1,3,3,3-hexafluoro-, 2-(4-methylbenzenesulfonate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propanol, 1,1,1,3,3,3-hexafluoro-, 2-(4-methylbenzenesulfonate)?
Yes, KEHONG BIO provides custom synthesis services for 2-Propanol, 1,1,1,3,3,3-hexafluoro-, 2-(4-methylbenzenesulfonate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.