2,3,4,5,6-Pentafluorophenyl 3-methylbenzenesulfonate
TL;DR: 2,3,4,5,6-Pentafluorophenyl 3-methylbenzenesulfonate (CAS 885950-34-5) is a chemical compound with molecular formula C13H7F5O3S and molecular weight 338.00 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-methylbenzenesulfonate
Also Known As: 2,3,4,5,6-Pentafluorophenyl 3-methylbenzenesulfonate, Perfluorophenyl 3-methylbenzenesulfonate, 1871AF, Pentafluorophenyl toluene-3-sulfonate, (2,3,4,5,6-pentafluorophenyl) 3-methylbenzenesulfonate
| Molecular Formula | C13H7F5O3S |
|---|---|
| Molecular Weight | 338.00 g/mol |
| LogP | 3.45822 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.0036 |
| Heavy Atoms | 22 |
| Complexity | 819.98944 |
Chemical Identifiers
| CAS Number | 885950-34-5 |
|---|---|
| SMILES | CC1=CC(=CC=C1)S(=O)(=O)OC2=C(C(=C(C(=C2F)F)F)F)F |
Product Overview
2,3,4,5,6-Pentafluorophenyl 3-methylbenzenesulfonate (CAS 885950-34-5), with molecular formula C13H7F5O3S and molecular weight 338.00 g/mol. IUPAC: (2,3,4,5,6-pentafluorophenyl) 3-methylbenzenesulfonate.
Chemical Property Profile of 2,3,4,5,6-Pentafluorophenyl 3-methylbenzenesulfonate
Property Insights of 2,3,4,5,6-Pentafluorophenyl 3-methylbenzenesulfonate
The XLogP value of 3.45822 indicates that 2,3,4,5,6-Pentafluorophenyl 3-methylbenzenesulfonate 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-methylbenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,4,5,6-Pentafluorophenyl 3-methylbenzenesulfonate 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-methylbenzenesulfonate?
The CAS number of 2,3,4,5,6-Pentafluorophenyl 3-methylbenzenesulfonate is 885950-34-5.
What is the molecular formula of 2,3,4,5,6-Pentafluorophenyl 3-methylbenzenesulfonate?
The molecular formula of 2,3,4,5,6-Pentafluorophenyl 3-methylbenzenesulfonate is C13H7F5O3S.
What is the molecular weight of 2,3,4,5,6-Pentafluorophenyl 3-methylbenzenesulfonate?
The molecular weight of 2,3,4,5,6-Pentafluorophenyl 3-methylbenzenesulfonate is 338.00 g/mol.
Where can I buy 2,3,4,5,6-Pentafluorophenyl 3-methylbenzenesulfonate?
You can request a quote for 2,3,4,5,6-Pentafluorophenyl 3-methylbenzenesulfonate 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-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4,5,6-Pentafluorophenyl 3-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.