2,3,4,5,6-Pentafluorophenyl 4-(tert-butyl)benzenesulfonate
TL;DR: 2,3,4,5,6-Pentafluorophenyl 4-(tert-butyl)benzenesulfonate (CAS 885950-38-9) is a chemical compound with molecular formula C16H13F5O3S and molecular weight 380.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3,4,5,6-pentafluorophenyl) 4-tert-butylbenzenesulfonate
Also Known As: Perfluorophenyl 4-(tert-butyl)benzenesulfonate, 2,3,4,5,6-pentafluorophenyl 4-(tert-butyl)benzenesulfonate, pentafluorophenylbutylbenzenesulfonate, 2,3,4,5,6-Pentafluorophenyl 4-(tert-butyl)-benzenesulfonate, (2,3,4,5,6-pentafluorophenyl) 4-tert-butylbenzenesulfonate
| Molecular Formula | C16H13F5O3S |
|---|---|
| Molecular Weight | 380.05 g/mol |
| LogP | 4.4473 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 380.05057 |
| Heavy Atoms | 25 |
| Complexity | 887.26196 |
Chemical Identifiers
| CAS Number | 885950-38-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=C(C(=C2F)F)F)F)F |
Product Overview
2,3,4,5,6-Pentafluorophenyl 4-(tert-butyl)benzenesulfonate (CAS 885950-38-9), with molecular formula C16H13F5O3S and molecular weight 380.05 g/mol. IUPAC: (2,3,4,5,6-pentafluorophenyl) 4-tert-butylbenzenesulfonate.
Chemical Property Profile of 2,3,4,5,6-Pentafluorophenyl 4-(tert-butyl)benzenesulfonate
Property Insights of 2,3,4,5,6-Pentafluorophenyl 4-(tert-butyl)benzenesulfonate
The XLogP value of 4.4473 indicates that 2,3,4,5,6-Pentafluorophenyl 4-(tert-butyl)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 4-(tert-butyl)benzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,4,5,6-Pentafluorophenyl 4-(tert-butyl)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 4-(tert-butyl)benzenesulfonate?
The CAS number of 2,3,4,5,6-Pentafluorophenyl 4-(tert-butyl)benzenesulfonate is 885950-38-9.
What is the molecular formula of 2,3,4,5,6-Pentafluorophenyl 4-(tert-butyl)benzenesulfonate?
The molecular formula of 2,3,4,5,6-Pentafluorophenyl 4-(tert-butyl)benzenesulfonate is C16H13F5O3S.
What is the molecular weight of 2,3,4,5,6-Pentafluorophenyl 4-(tert-butyl)benzenesulfonate?
The molecular weight of 2,3,4,5,6-Pentafluorophenyl 4-(tert-butyl)benzenesulfonate is 380.05 g/mol.
Where can I buy 2,3,4,5,6-Pentafluorophenyl 4-(tert-butyl)benzenesulfonate?
You can request a quote for 2,3,4,5,6-Pentafluorophenyl 4-(tert-butyl)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 4-(tert-butyl)benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4,5,6-Pentafluorophenyl 4-(tert-butyl)benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.