But-2-yne-1,4-diyl bis(4-methylbenzenesulfonate)
TL;DR: But-2-yne-1,4-diyl bis(4-methylbenzenesulfonate) (CAS 71873-50-2) is a chemical compound with molecular formula C18H18O6S2 and molecular weight 394.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methylphenyl)sulfonyloxybut-2-ynyl 4-methylbenzenesulfonate
Also Known As: 1,4-Bis(tosyloxy)-2-butyne, 1,4-Bis(tosyloxy)but-2-yne, but-2-yne-1,4-diyl bis(4-methylbenzenesulfonate), 2-butyne-1,4-diol ditosylate, 1-methyl-4-[4-(4-methylphenyl)sulfonyloxybut-2-ynoxysulfonyl]benzene
| Molecular Formula | C18H18O6S2 |
|---|---|
| Molecular Weight | 394.05 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 394.05447 |
| Heavy Atoms | 26 |
| Complexity | 641.0 |
Chemical Identifiers
| CAS Number | 71873-50-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC#CCOS(=O)(=O)C2=CC=C(C=C2)C |
| InChIKey | HEVZUSWEUOIBHD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
But-2-yne-1,4-diyl bis(4-methylbenzenesulfonate) (CAS 71873-50-2), with molecular formula C18H18O6S2 and molecular weight 394.05 g/mol. IUPAC: 4-(4-methylphenyl)sulfonyloxybut-2-ynyl 4-methylbenzenesulfonate.
Chemical Property Profile of But-2-yne-1,4-diyl bis(4-methylbenzenesulfonate)
Property Insights of But-2-yne-1,4-diyl bis(4-methylbenzenesulfonate)
The XLogP value of 3.0 indicates that But-2-yne-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 But-2-yne-1,4-diyl bis(4-methylbenzenesulfonate). Following Lipinski's Rule of Five, But-2-yne-1,4-diyl bis(4-methylbenzenesulfonate) 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(4-methylbenzenesulfonate)?
The CAS number of But-2-yne-1,4-diyl bis(4-methylbenzenesulfonate) is 71873-50-2.
What is the molecular formula of But-2-yne-1,4-diyl bis(4-methylbenzenesulfonate)?
The molecular formula of But-2-yne-1,4-diyl bis(4-methylbenzenesulfonate) is C18H18O6S2.
What is the molecular weight of But-2-yne-1,4-diyl bis(4-methylbenzenesulfonate)?
The molecular weight of But-2-yne-1,4-diyl bis(4-methylbenzenesulfonate) is 394.05 g/mol.
Where can I buy But-2-yne-1,4-diyl bis(4-methylbenzenesulfonate)?
You can request a quote for But-2-yne-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 But-2-yne-1,4-diyl bis(4-methylbenzenesulfonate)?
Yes, KEHONG BIO provides custom synthesis services for But-2-yne-1,4-diyl bis(4-methylbenzenesulfonate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.