4-(2,4-Dimethylphenyl)sulfonyloxybut-2-ynyl 2,4-dimethylbenzenesulfonate
TL;DR: 4-(2,4-Dimethylphenyl)sulfonyloxybut-2-ynyl 2,4-dimethylbenzenesulfonate (CAS 6533-21-7) is a chemical compound with molecular formula C20H22O6S2 and molecular weight 422.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,4-dimethylphenyl)sulfonyloxybut-2-ynyl 2,4-dimethylbenzenesulfonate
Also Known As: but-2-yne-1,4-diyl bis(2,4-dimethylbenzenesulfonate), But-2-yne-1,4-diyl bis(2,4-dimethylbenzene-1-sulfonate), 4-(2,4-dimethylphenyl)sulfonyloxybut-2-ynyl 2,4-dimethylbenzenesulfonate, 2-[2-(1,2,3,3-tetramethyl-2H-indol-5-yl)ethenyl]benzothiazole, 3-benzoyl-1-(2-methoxy-ethyl)-4-phenyl-1,3-dihydro-imidazol-2-one
| Molecular Formula | C20H22O6S2 |
|---|---|
| Molecular Weight | 422.09 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 422.0858 |
| Heavy Atoms | 28 |
| Complexity | 714.0 |
Chemical Identifiers
| CAS Number | 6533-21-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)S(=O)(=O)OCC#CCOS(=O)(=O)C2=C(C=C(C=C2)C)C)C |
| InChIKey | RDOKLLIUVKRYIW-UHFFFAOYSA-N |
Product Overview
4-(2,4-Dimethylphenyl)sulfonyloxybut-2-ynyl 2,4-dimethylbenzenesulfonate (CAS 6533-21-7), with molecular formula C20H22O6S2 and molecular weight 422.09 g/mol. IUPAC: 4-(2,4-dimethylphenyl)sulfonyloxybut-2-ynyl 2,4-dimethylbenzenesulfonate.
Chemical Property Profile of 4-(2,4-Dimethylphenyl)sulfonyloxybut-2-ynyl 2,4-dimethylbenzenesulfonate
Property Insights of 4-(2,4-Dimethylphenyl)sulfonyloxybut-2-ynyl 2,4-dimethylbenzenesulfonate
The XLogP value of 3.7 indicates that 4-(2,4-Dimethylphenyl)sulfonyloxybut-2-ynyl 2,4-dimethylbenzenesulfonate 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 4-(2,4-Dimethylphenyl)sulfonyloxybut-2-ynyl 2,4-dimethylbenzenesulfonate. Following Lipinski's Rule of Five, 4-(2,4-Dimethylphenyl)sulfonyloxybut-2-ynyl 2,4-dimethylbenzenesulfonate has 0 hydrogen bond donor(s) and 6 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-(2,4-Dimethylphenyl)sulfonyloxybut-2-ynyl 2,4-dimethylbenzenesulfonate?
The CAS number of 4-(2,4-Dimethylphenyl)sulfonyloxybut-2-ynyl 2,4-dimethylbenzenesulfonate is 6533-21-7.
What is the molecular formula of 4-(2,4-Dimethylphenyl)sulfonyloxybut-2-ynyl 2,4-dimethylbenzenesulfonate?
The molecular formula of 4-(2,4-Dimethylphenyl)sulfonyloxybut-2-ynyl 2,4-dimethylbenzenesulfonate is C20H22O6S2.
What is the molecular weight of 4-(2,4-Dimethylphenyl)sulfonyloxybut-2-ynyl 2,4-dimethylbenzenesulfonate?
The molecular weight of 4-(2,4-Dimethylphenyl)sulfonyloxybut-2-ynyl 2,4-dimethylbenzenesulfonate is 422.09 g/mol.
Where can I buy 4-(2,4-Dimethylphenyl)sulfonyloxybut-2-ynyl 2,4-dimethylbenzenesulfonate?
You can request a quote for 4-(2,4-Dimethylphenyl)sulfonyloxybut-2-ynyl 2,4-dimethylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,4-Dimethylphenyl)sulfonyloxybut-2-ynyl 2,4-dimethylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,4-Dimethylphenyl)sulfonyloxybut-2-ynyl 2,4-dimethylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.