4-Fluorophenyl 2,3,4-trimethylbenzenesulfonate
TL;DR: 4-Fluorophenyl 2,3,4-trimethylbenzenesulfonate (CAS 865593-85-7) is a chemical compound with molecular formula C15H15FO3S and molecular weight 294.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-fluorophenyl) 2,3,4-trimethylbenzenesulfonate
Also Known As: 4-fluorophenyl 2,3,4-trimethylbenzenesulfonate, 4-fluorophenyl 2,3,4-trimethylbenzene-1-sulfonate, (4-fluorophenyl) 2,3,4-trimethylbenzenesulfonate, F1478-0050, p-fluorophenoxy(oxo)-2,3,4-trimethylphenyl-lambda-sulfaniumolate
| Molecular Formula | C15H15FO3S |
|---|---|
| Molecular Weight | 294.07 g/mol |
| LogP | 3.51866 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 294.0726 |
| Heavy Atoms | 20 |
| Complexity | 734.4591 |
Chemical Identifiers
| CAS Number | 865593-85-7 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)F)C)C |
Product Overview
4-Fluorophenyl 2,3,4-trimethylbenzenesulfonate (CAS 865593-85-7), with molecular formula C15H15FO3S and molecular weight 294.07 g/mol. IUPAC: (4-fluorophenyl) 2,3,4-trimethylbenzenesulfonate.
Chemical Property Profile of 4-Fluorophenyl 2,3,4-trimethylbenzenesulfonate
Property Insights of 4-Fluorophenyl 2,3,4-trimethylbenzenesulfonate
The XLogP value of 3.51866 indicates that 4-Fluorophenyl 2,3,4-trimethylbenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, 4-Fluorophenyl 2,3,4-trimethylbenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Fluorophenyl 2,3,4-trimethylbenzenesulfonate 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 4-Fluorophenyl 2,3,4-trimethylbenzenesulfonate?
The CAS number of 4-Fluorophenyl 2,3,4-trimethylbenzenesulfonate is 865593-85-7.
What is the molecular formula of 4-Fluorophenyl 2,3,4-trimethylbenzenesulfonate?
The molecular formula of 4-Fluorophenyl 2,3,4-trimethylbenzenesulfonate is C15H15FO3S.
What is the molecular weight of 4-Fluorophenyl 2,3,4-trimethylbenzenesulfonate?
The molecular weight of 4-Fluorophenyl 2,3,4-trimethylbenzenesulfonate is 294.07 g/mol.
Where can I buy 4-Fluorophenyl 2,3,4-trimethylbenzenesulfonate?
You can request a quote for 4-Fluorophenyl 2,3,4-trimethylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Fluorophenyl 2,3,4-trimethylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-Fluorophenyl 2,3,4-trimethylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.