2,2,3,3-Tetramethylbutane-1,4-diyl bis(4-methylbenzenesulfonate)
TL;DR: 2,2,3,3-Tetramethylbutane-1,4-diyl bis(4-methylbenzenesulfonate) (CAS 70857-08-8) is a chemical compound with molecular formula C22H30O6S2 and molecular weight 454.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,2,3,3-tetramethyl-4-(4-methylphenyl)sulfonyloxybutyl] 4-methylbenzenesulfonate
Also Known As: 2,2,3,3-tetramethylbutane-1,4-diyl bis(4-methylbenzenesulfonate), [2,2,3,3-tetramethyl-4-(4-methylphenyl)sulfonyloxybutyl] 4-m, 2,2,3,3-Tetramethylbutane-1,4-diyl bis(4-methylbenzene-1-sulfonate), [2,2,3,3-tetramethyl-4-(4-methylphenyl)sulfonyloxybutyl] 4-methylbenzenesulfonate
| Molecular Formula | C22H30O6S2 |
|---|---|
| Molecular Weight | 454.15 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 454.14838 |
| Heavy Atoms | 30 |
| Complexity | 676.0 |
Chemical Identifiers
| CAS Number | 70857-08-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC(C)(C)C(C)(C)COS(=O)(=O)C2=CC=C(C=C2)C |
| InChIKey | XOPWJCCQJIIDMU-UHFFFAOYSA-N |
Product Overview
2,2,3,3-Tetramethylbutane-1,4-diyl bis(4-methylbenzenesulfonate) (CAS 70857-08-8), with molecular formula C22H30O6S2 and molecular weight 454.15 g/mol. IUPAC: [2,2,3,3-tetramethyl-4-(4-methylphenyl)sulfonyloxybutyl] 4-methylbenzenesulfonate.
Chemical Property Profile of 2,2,3,3-Tetramethylbutane-1,4-diyl bis(4-methylbenzenesulfonate)
Property Insights of 2,2,3,3-Tetramethylbutane-1,4-diyl bis(4-methylbenzenesulfonate)
The XLogP value of 5.3 indicates that 2,2,3,3-Tetramethylbutane-1,4-diyl bis(4-methylbenzenesulfonate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2,3,3-Tetramethylbutane-1,4-diyl bis(4-methylbenzenesulfonate). Following Lipinski's Rule of Five, 2,2,3,3-Tetramethylbutane-1,4-diyl bis(4-methylbenzenesulfonate) has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2,3,3-Tetramethylbutane-1,4-diyl bis(4-methylbenzenesulfonate)?
The CAS number of 2,2,3,3-Tetramethylbutane-1,4-diyl bis(4-methylbenzenesulfonate) is 70857-08-8.
What is the molecular formula of 2,2,3,3-Tetramethylbutane-1,4-diyl bis(4-methylbenzenesulfonate)?
The molecular formula of 2,2,3,3-Tetramethylbutane-1,4-diyl bis(4-methylbenzenesulfonate) is C22H30O6S2.
What is the molecular weight of 2,2,3,3-Tetramethylbutane-1,4-diyl bis(4-methylbenzenesulfonate)?
The molecular weight of 2,2,3,3-Tetramethylbutane-1,4-diyl bis(4-methylbenzenesulfonate) is 454.15 g/mol.
Where can I buy 2,2,3,3-Tetramethylbutane-1,4-diyl bis(4-methylbenzenesulfonate)?
You can request a quote for 2,2,3,3-Tetramethylbutane-1,4-diyl bis(4-methylbenzenesulfonate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,3,3-Tetramethylbutane-1,4-diyl bis(4-methylbenzenesulfonate)?
Yes, KEHONG BIO provides custom synthesis services for 2,2,3,3-Tetramethylbutane-1,4-diyl bis(4-methylbenzenesulfonate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.