2,3,4,5,6-Pentafluorophenyl 3-(trifluoromethyl)benzenesulfonate
TL;DR: 2,3,4,5,6-Pentafluorophenyl 3-(trifluoromethyl)benzenesulfonate (CAS 885950-36-7) is a chemical compound with molecular formula C13H4F8O3S and molecular weight 391.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3,4,5,6-pentafluorophenyl) 3-(trifluoromethyl)benzenesulfonate
Also Known As: Perfluorophenyl 3-(trifluoromethyl)benzenesulfonate, 2,3,4,5,6-pentafluorophenyl 3-(trifluoromethyl)benzenesulfonate, 2,3,4,5,6-Pentafluorophenyl 3-(trifluoromethyl)-benzenesulfonate, 2,3,4,5,6-pentafluorophenyl 3-(trifluoromethyl)benzenesulphonate, (2,3,4,5,6-pentafluorophenyl) 3-(trifluoromethyl)benzenesulfonate
| Molecular Formula | C13H4F8O3S |
|---|---|
| Molecular Weight | 391.98 g/mol |
| LogP | 4.1686 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 391.97534 |
| Heavy Atoms | 25 |
| Complexity | 908.0159 |
Chemical Identifiers
| CAS Number | 885950-36-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)OC2=C(C(=C(C(=C2F)F)F)F)F)C(F)(F)F |
Product Overview
2,3,4,5,6-Pentafluorophenyl 3-(trifluoromethyl)benzenesulfonate (CAS 885950-36-7), with molecular formula C13H4F8O3S and molecular weight 391.98 g/mol. IUPAC: (2,3,4,5,6-pentafluorophenyl) 3-(trifluoromethyl)benzenesulfonate.
Chemical Property Profile of 2,3,4,5,6-Pentafluorophenyl 3-(trifluoromethyl)benzenesulfonate
Property Insights of 2,3,4,5,6-Pentafluorophenyl 3-(trifluoromethyl)benzenesulfonate
The XLogP value of 4.1686 indicates that 2,3,4,5,6-Pentafluorophenyl 3-(trifluoromethyl)benzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, 2,3,4,5,6-Pentafluorophenyl 3-(trifluoromethyl)benzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,4,5,6-Pentafluorophenyl 3-(trifluoromethyl)benzenesulfonate has 0 hydrogen bond donor(s) and 3 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 3-(trifluoromethyl)benzenesulfonate?
The CAS number of 2,3,4,5,6-Pentafluorophenyl 3-(trifluoromethyl)benzenesulfonate is 885950-36-7.
What is the molecular formula of 2,3,4,5,6-Pentafluorophenyl 3-(trifluoromethyl)benzenesulfonate?
The molecular formula of 2,3,4,5,6-Pentafluorophenyl 3-(trifluoromethyl)benzenesulfonate is C13H4F8O3S.
What is the molecular weight of 2,3,4,5,6-Pentafluorophenyl 3-(trifluoromethyl)benzenesulfonate?
The molecular weight of 2,3,4,5,6-Pentafluorophenyl 3-(trifluoromethyl)benzenesulfonate is 391.98 g/mol.
Where can I buy 2,3,4,5,6-Pentafluorophenyl 3-(trifluoromethyl)benzenesulfonate?
You can request a quote for 2,3,4,5,6-Pentafluorophenyl 3-(trifluoromethyl)benzenesulfonate 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 3-(trifluoromethyl)benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4,5,6-Pentafluorophenyl 3-(trifluoromethyl)benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.