(4-Tert-butylphenyl) 4-methylbenzenesulfonate
TL;DR: (4-Tert-butylphenyl) 4-methylbenzenesulfonate (CAS 7598-28-9) is a chemical compound with molecular formula C17H20O3S and molecular weight 304.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-tert-butylphenyl) 4-methylbenzenesulfonate
Also Known As: 4-tert-butylphenyl 4-methylbenzene-1-sulfonate, 4-(tert-butyl)phenyl 4-methylbenzenesulfonate, (4-tert-butylphenyl) 4-methylbenzenesulfonate, 1-(Tosyloxy)-4-tert-butylbenzene, 1-tert-Butyl-4-(tosyloxy)benzene
| Molecular Formula | C17H20O3S |
|---|---|
| Molecular Weight | 304.11 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 304.1133 |
| Heavy Atoms | 21 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 7598-28-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(C)(C)C |
| InChIKey | SUCZYFLKGVGAFM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(4-Tert-butylphenyl) 4-methylbenzenesulfonate (CAS 7598-28-9), with molecular formula C17H20O3S and molecular weight 304.11 g/mol. IUPAC: (4-tert-butylphenyl) 4-methylbenzenesulfonate.
Chemical Property Profile of (4-Tert-butylphenyl) 4-methylbenzenesulfonate
Property Insights of (4-Tert-butylphenyl) 4-methylbenzenesulfonate
The XLogP value of 5.1 indicates that (4-Tert-butylphenyl) 4-methylbenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, (4-Tert-butylphenyl) 4-methylbenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Tert-butylphenyl) 4-methylbenzenesulfonate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (4-Tert-butylphenyl) 4-methylbenzenesulfonate?
The CAS number of (4-Tert-butylphenyl) 4-methylbenzenesulfonate is 7598-28-9.
What is the molecular formula of (4-Tert-butylphenyl) 4-methylbenzenesulfonate?
The molecular formula of (4-Tert-butylphenyl) 4-methylbenzenesulfonate is C17H20O3S.
What is the molecular weight of (4-Tert-butylphenyl) 4-methylbenzenesulfonate?
The molecular weight of (4-Tert-butylphenyl) 4-methylbenzenesulfonate is 304.11 g/mol.
Where can I buy (4-Tert-butylphenyl) 4-methylbenzenesulfonate?
You can request a quote for (4-Tert-butylphenyl) 4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Tert-butylphenyl) 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for (4-Tert-butylphenyl) 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.