2-Chlorophenyl Trifluoromethanesulfonate
TL;DR: 2-Chlorophenyl Trifluoromethanesulfonate (CAS 6631-36-3) is a chemical compound with molecular formula C7H4ClF3O3S and molecular weight 259.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chlorophenyl) trifluoromethanesulfonate
Also Known As: 2-Chlorophenyl trifluoromethanesulfonate, 2-Chlorophenyl Triflate, (2-chlorophenyl) trifluoromethanesulfonate, 2-Chlorophenyltrifluoromethanesulfonate, 2-chlorophenyl trifluoromethanesulphonate
| Molecular Formula | C7H4ClF3O3S |
|---|---|
| Molecular Weight | 259.95 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.95218 |
| Heavy Atoms | 15 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 6631-36-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)OS(=O)(=O)C(F)(F)F)Cl |
| InChIKey | KTLNEJOQAOFUTO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chlorophenyl Trifluoromethanesulfonate (CAS 6631-36-3), with molecular formula C7H4ClF3O3S and molecular weight 259.95 g/mol. IUPAC: (2-chlorophenyl) trifluoromethanesulfonate.
Chemical Property Profile of 2-Chlorophenyl Trifluoromethanesulfonate
Property Insights of 2-Chlorophenyl Trifluoromethanesulfonate
The XLogP value of 3.3 indicates that 2-Chlorophenyl 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, 2-Chlorophenyl Trifluoromethanesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chlorophenyl 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 2-Chlorophenyl Trifluoromethanesulfonate?
The CAS number of 2-Chlorophenyl Trifluoromethanesulfonate is 6631-36-3.
What is the molecular formula of 2-Chlorophenyl Trifluoromethanesulfonate?
The molecular formula of 2-Chlorophenyl Trifluoromethanesulfonate is C7H4ClF3O3S.
What is the molecular weight of 2-Chlorophenyl Trifluoromethanesulfonate?
The molecular weight of 2-Chlorophenyl Trifluoromethanesulfonate is 259.95 g/mol.
Where can I buy 2-Chlorophenyl Trifluoromethanesulfonate?
You can request a quote for 2-Chlorophenyl Trifluoromethanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chlorophenyl Trifluoromethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chlorophenyl Trifluoromethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.