o-Tolyl Trifluoromethanesulfonate
TL;DR: o-Tolyl Trifluoromethanesulfonate (CAS 66107-34-4) 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-methylphenyl) trifluoromethanesulfonate
Also Known As: o-tolyl Trifluoromethanesulfonate, o-tolyl triflate, o-tolyltriflate, 2-Cresol triflate, 2-Methylphenyl triflate
| Molecular Formula | C8H7F3O3S |
|---|---|
| Molecular Weight | 240.01 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 240.0068 |
| Heavy Atoms | 15 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 66107-34-4 |
|---|---|
| SMILES | CC1=CC=CC=C1OS(=O)(=O)C(F)(F)F |
| InChIKey | RBOGJRXPKONDGC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
o-Tolyl Trifluoromethanesulfonate (CAS 66107-34-4), with molecular formula C8H7F3O3S and molecular weight 240.01 g/mol. IUPAC: (2-methylphenyl) trifluoromethanesulfonate.
Chemical Property Profile of o-Tolyl Trifluoromethanesulfonate
Property Insights of o-Tolyl Trifluoromethanesulfonate
The XLogP value of 3.0 indicates that o-Tolyl Trifluoromethanesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, o-Tolyl Trifluoromethanesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-Tolyl Trifluoromethanesulfonate 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 o-Tolyl Trifluoromethanesulfonate?
The CAS number of o-Tolyl Trifluoromethanesulfonate is 66107-34-4.
What is the molecular formula of o-Tolyl Trifluoromethanesulfonate?
The molecular formula of o-Tolyl Trifluoromethanesulfonate is C8H7F3O3S.
What is the molecular weight of o-Tolyl Trifluoromethanesulfonate?
The molecular weight of o-Tolyl Trifluoromethanesulfonate is 240.01 g/mol.
Where can I buy o-Tolyl Trifluoromethanesulfonate?
You can request a quote for o-Tolyl Trifluoromethanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Tolyl Trifluoromethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for o-Tolyl Trifluoromethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.