2,3,4,5,6-Pentafluorophenyl 2,4,6-trimethylbenzenesulfonate
TL;DR: 2,3,4,5,6-Pentafluorophenyl 2,4,6-trimethylbenzenesulfonate (CAS 885950-62-9) is a chemical compound with molecular formula C15H11F5O3S and molecular weight 366.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3,4,5,6-pentafluorophenyl) 2,4,6-trimethylbenzenesulfonate
Also Known As: 2,3,4,5,6-Pentafluorophenyl 2,4,6-trimethylbenzenesulfonate, pentafluorophenyltrimethylbenzenesulfonate, Perfluorophenyl 2,4,6-trimethylbenzenesulfonate, 2,3,4,5,6-Pentafluorophenyl 2,4,6-trimethylbenzenesulphonate, (2,3,4,5,6-pentafluorophenyl) 2,4,6-trimethylbenzenesulfonate
| Molecular Formula | C15H11F5O3S |
|---|---|
| Molecular Weight | 366.03 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 366.0349 |
| Heavy Atoms | 24 |
| Complexity | 512.0 |
Chemical Identifiers
| CAS Number | 885950-62-9 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)S(=O)(=O)OC2=C(C(=C(C(=C2F)F)F)F)F)C |
| InChIKey | WHMSVBXYAVAYQY-UHFFFAOYSA-N |
Product Overview
2,3,4,5,6-Pentafluorophenyl 2,4,6-trimethylbenzenesulfonate (CAS 885950-62-9), with molecular formula C15H11F5O3S and molecular weight 366.03 g/mol. IUPAC: (2,3,4,5,6-pentafluorophenyl) 2,4,6-trimethylbenzenesulfonate.
Chemical Property Profile of 2,3,4,5,6-Pentafluorophenyl 2,4,6-trimethylbenzenesulfonate
Property Insights of 2,3,4,5,6-Pentafluorophenyl 2,4,6-trimethylbenzenesulfonate
The XLogP value of 4.6 indicates that 2,3,4,5,6-Pentafluorophenyl 2,4,6-trimethylbenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, 2,3,4,5,6-Pentafluorophenyl 2,4,6-trimethylbenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,4,5,6-Pentafluorophenyl 2,4,6-trimethylbenzenesulfonate has 0 hydrogen bond donor(s) and 8 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 2,3,4,5,6-Pentafluorophenyl 2,4,6-trimethylbenzenesulfonate?
The CAS number of 2,3,4,5,6-Pentafluorophenyl 2,4,6-trimethylbenzenesulfonate is 885950-62-9.
What is the molecular formula of 2,3,4,5,6-Pentafluorophenyl 2,4,6-trimethylbenzenesulfonate?
The molecular formula of 2,3,4,5,6-Pentafluorophenyl 2,4,6-trimethylbenzenesulfonate is C15H11F5O3S.
What is the molecular weight of 2,3,4,5,6-Pentafluorophenyl 2,4,6-trimethylbenzenesulfonate?
The molecular weight of 2,3,4,5,6-Pentafluorophenyl 2,4,6-trimethylbenzenesulfonate is 366.03 g/mol.
Where can I buy 2,3,4,5,6-Pentafluorophenyl 2,4,6-trimethylbenzenesulfonate?
You can request a quote for 2,3,4,5,6-Pentafluorophenyl 2,4,6-trimethylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,4,5,6-Pentafluorophenyl 2,4,6-trimethylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4,5,6-Pentafluorophenyl 2,4,6-trimethylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.