4-(1,1,3,3-Tetramethylbutyl)phenyl P-toluenesulfonate
TL;DR: 4-(1,1,3,3-Tetramethylbutyl)phenyl P-toluenesulfonate (CAS 160789-00-4) is a chemical compound with molecular formula C21H28O3S and molecular weight 360.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2,4,4-trimethylpentan-2-yl)phenyl] 4-methylbenzenesulfonate
Also Known As: 4-(2,4,4-trimethylpentan-2-yl)phenyl 4-methylbenzene-1-sulfonate, 4-(1,1,3,3-tetramethylbutyl)phenyl p-toluenesulfonate, 4-(1,1,3,3-tetramethylbutyl)phenyl 4-methylbenzenesulfonate, [4-(2,4,4-trimethylpentan-2-yl)phenyl] 4-methylbenzenesulfonate, 2,2,4-trimethyl-4-[4-(4-methylphenyl)sulfonyloxyphenyl]pentane
| Molecular Formula | C21H28O3S |
|---|---|
| Molecular Weight | 360.18 g/mol |
| LogP | 5.47652 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 360.1759 |
| Heavy Atoms | 25 |
| Complexity | 808.94006 |
Chemical Identifiers
| CAS Number | 160789-00-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(C)(C)CC(C)(C)C |
Product Overview
4-(1,1,3,3-Tetramethylbutyl)phenyl P-toluenesulfonate (CAS 160789-00-4), with molecular formula C21H28O3S and molecular weight 360.18 g/mol. IUPAC: [4-(2,4,4-trimethylpentan-2-yl)phenyl] 4-methylbenzenesulfonate.
Chemical Property Profile of 4-(1,1,3,3-Tetramethylbutyl)phenyl P-toluenesulfonate
Property Insights of 4-(1,1,3,3-Tetramethylbutyl)phenyl P-toluenesulfonate
The XLogP value of 5.47652 indicates that 4-(1,1,3,3-Tetramethylbutyl)phenyl P-toluenesulfonate 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-(1,1,3,3-Tetramethylbutyl)phenyl P-toluenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1,1,3,3-Tetramethylbutyl)phenyl P-toluenesulfonate 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-(1,1,3,3-Tetramethylbutyl)phenyl P-toluenesulfonate?
The CAS number of 4-(1,1,3,3-Tetramethylbutyl)phenyl P-toluenesulfonate is 160789-00-4.
What is the molecular formula of 4-(1,1,3,3-Tetramethylbutyl)phenyl P-toluenesulfonate?
The molecular formula of 4-(1,1,3,3-Tetramethylbutyl)phenyl P-toluenesulfonate is C21H28O3S.
What is the molecular weight of 4-(1,1,3,3-Tetramethylbutyl)phenyl P-toluenesulfonate?
The molecular weight of 4-(1,1,3,3-Tetramethylbutyl)phenyl P-toluenesulfonate is 360.18 g/mol.
Where can I buy 4-(1,1,3,3-Tetramethylbutyl)phenyl P-toluenesulfonate?
You can request a quote for 4-(1,1,3,3-Tetramethylbutyl)phenyl P-toluenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,1,3,3-Tetramethylbutyl)phenyl P-toluenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,1,3,3-Tetramethylbutyl)phenyl P-toluenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.