2,3,4,5,6-Pentafluorophenyl 4-ethylbenzenesulfonate
TL;DR: 2,3,4,5,6-Pentafluorophenyl 4-ethylbenzenesulfonate (CAS 885950-41-4) is a chemical compound with molecular formula C14H9F5O3S and molecular weight 352.02 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-ethylbenzenesulfonate
Also Known As: 2,3,4,5,6-Pentafluorophenyl 4-ethylbenzenesulfonate, Perfluorophenyl 4-ethylbenzenesulfonate, pentafluorophenylethylbenzenesulfonate, pentafluorophenyl 4-ethylbenzenesulfonate, 2,3,4,5,6-pentafluorophenyl 4-ethylbenzenesulphonate
| Molecular Formula | C14H9F5O3S |
|---|---|
| Molecular Weight | 352.02 g/mol |
| LogP | 3.7122 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 352.01926 |
| Heavy Atoms | 23 |
| Complexity | 818.70184 |
Chemical Identifiers
| CAS Number | 885950-41-4 |
|---|---|
| SMILES | CCC1=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-ethylbenzenesulfonate (CAS 885950-41-4), with molecular formula C14H9F5O3S and molecular weight 352.02 g/mol. IUPAC: (2,3,4,5,6-pentafluorophenyl) 4-ethylbenzenesulfonate.
Chemical Property Profile of 2,3,4,5,6-Pentafluorophenyl 4-ethylbenzenesulfonate
Property Insights of 2,3,4,5,6-Pentafluorophenyl 4-ethylbenzenesulfonate
The XLogP value of 3.7122 indicates that 2,3,4,5,6-Pentafluorophenyl 4-ethylbenzenesulfonate 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-ethylbenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,4,5,6-Pentafluorophenyl 4-ethylbenzenesulfonate 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-ethylbenzenesulfonate?
The CAS number of 2,3,4,5,6-Pentafluorophenyl 4-ethylbenzenesulfonate is 885950-41-4.
What is the molecular formula of 2,3,4,5,6-Pentafluorophenyl 4-ethylbenzenesulfonate?
The molecular formula of 2,3,4,5,6-Pentafluorophenyl 4-ethylbenzenesulfonate is C14H9F5O3S.
What is the molecular weight of 2,3,4,5,6-Pentafluorophenyl 4-ethylbenzenesulfonate?
The molecular weight of 2,3,4,5,6-Pentafluorophenyl 4-ethylbenzenesulfonate is 352.02 g/mol.
Where can I buy 2,3,4,5,6-Pentafluorophenyl 4-ethylbenzenesulfonate?
You can request a quote for 2,3,4,5,6-Pentafluorophenyl 4-ethylbenzenesulfonate 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-ethylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4,5,6-Pentafluorophenyl 4-ethylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.