But-2-yne-1,4-diyl bis(2,5-dimethylbenzenesulfonate)
TL;DR: But-2-yne-1,4-diyl bis(2,5-dimethylbenzenesulfonate) (CAS 66049-87-4) 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-(2,5-dimethylphenyl)sulfonyloxybut-2-ynyl 2,5-dimethylbenzenesulfonate
Also Known As: 2,diester with 2-butyne-1,4-diol, 2, diester with 2-butyne-1,4-diol, 2-Butyne-1, di-2,5-xylenesulfonate, but-2-yne-1,4-diyl bis(2,5-dimethylbenzenesulfonate), But-2-yne-1,4-diyl bis(2,5-dimethylbenzene-1-sulfonate)
| 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 | 66049-87-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)S(=O)(=O)OCC#CCOS(=O)(=O)C2=C(C=CC(=C2)C)C |
| InChIKey | IQSFCHBDBSJOHS-UHFFFAOYSA-N |
Product Overview
But-2-yne-1,4-diyl bis(2,5-dimethylbenzenesulfonate) (CAS 66049-87-4), with molecular formula C20H22O6S2 and molecular weight 422.09 g/mol. IUPAC: 4-(2,5-dimethylphenyl)sulfonyloxybut-2-ynyl 2,5-dimethylbenzenesulfonate.
Chemical Property Profile of But-2-yne-1,4-diyl bis(2,5-dimethylbenzenesulfonate)
Property Insights of But-2-yne-1,4-diyl bis(2,5-dimethylbenzenesulfonate)
The XLogP value of 3.7 indicates that But-2-yne-1,4-diyl bis(2,5-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 But-2-yne-1,4-diyl bis(2,5-dimethylbenzenesulfonate). Following Lipinski's Rule of Five, But-2-yne-1,4-diyl bis(2,5-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 But-2-yne-1,4-diyl bis(2,5-dimethylbenzenesulfonate)?
The CAS number of But-2-yne-1,4-diyl bis(2,5-dimethylbenzenesulfonate) is 66049-87-4.
What is the molecular formula of But-2-yne-1,4-diyl bis(2,5-dimethylbenzenesulfonate)?
The molecular formula of But-2-yne-1,4-diyl bis(2,5-dimethylbenzenesulfonate) is C20H22O6S2.
What is the molecular weight of But-2-yne-1,4-diyl bis(2,5-dimethylbenzenesulfonate)?
The molecular weight of But-2-yne-1,4-diyl bis(2,5-dimethylbenzenesulfonate) is 422.09 g/mol.
Where can I buy But-2-yne-1,4-diyl bis(2,5-dimethylbenzenesulfonate)?
You can request a quote for But-2-yne-1,4-diyl bis(2,5-dimethylbenzenesulfonate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for But-2-yne-1,4-diyl bis(2,5-dimethylbenzenesulfonate)?
Yes, KEHONG BIO provides custom synthesis services for But-2-yne-1,4-diyl bis(2,5-dimethylbenzenesulfonate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.