2,4-Hexadiyne-1,6-diol, 1,6-bis(4-methylbenzenesulfonate)
TL;DR: 2,4-Hexadiyne-1,6-diol, 1,6-bis(4-methylbenzenesulfonate) (CAS 32527-15-4) is a chemical compound with molecular formula C20H18O6S2 and molecular weight 418.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-methylphenyl)sulfonyloxyhexa-2,4-diynyl 4-methylbenzenesulfonate
Also Known As: hexa-2,4-diyne-1,6-diylbis, 2,4-Hexadiyn-1,6-bis-p-toluenesulfonate, 2,4-Hexadiyne-1,6-diol, bis(4-methylbenzenesulfonate), 1,6-Bis(tosyloxy)-2,4-hexadiyne, 2,4-Hexadiyne-1,6-diol ditosylate
| Molecular Formula | C20H18O6S2 |
|---|---|
| Molecular Weight | 418.05 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 418.05447 |
| Heavy Atoms | 28 |
| Complexity | 762.0 |
Chemical Identifiers
| CAS Number | 32527-15-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC#CC#CCOS(=O)(=O)C2=CC=C(C=C2)C |
| InChIKey | DXMVSZQXZAMXJA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Hexadiyne-1,6-diol, 1,6-bis(4-methylbenzenesulfonate) (CAS 32527-15-4), with molecular formula C20H18O6S2 and molecular weight 418.05 g/mol. IUPAC: 6-(4-methylphenyl)sulfonyloxyhexa-2,4-diynyl 4-methylbenzenesulfonate.
Chemical Property Profile of 2,4-Hexadiyne-1,6-diol, 1,6-bis(4-methylbenzenesulfonate)
Property Insights of 2,4-Hexadiyne-1,6-diol, 1,6-bis(4-methylbenzenesulfonate)
The XLogP value of 3.4 indicates that 2,4-Hexadiyne-1,6-diol, 1,6-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 2,4-Hexadiyne-1,6-diol, 1,6-bis(4-methylbenzenesulfonate). Following Lipinski's Rule of Five, 2,4-Hexadiyne-1,6-diol, 1,6-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 2,4-Hexadiyne-1,6-diol, 1,6-bis(4-methylbenzenesulfonate)?
The CAS number of 2,4-Hexadiyne-1,6-diol, 1,6-bis(4-methylbenzenesulfonate) is 32527-15-4.
What is the molecular formula of 2,4-Hexadiyne-1,6-diol, 1,6-bis(4-methylbenzenesulfonate)?
The molecular formula of 2,4-Hexadiyne-1,6-diol, 1,6-bis(4-methylbenzenesulfonate) is C20H18O6S2.
What is the molecular weight of 2,4-Hexadiyne-1,6-diol, 1,6-bis(4-methylbenzenesulfonate)?
The molecular weight of 2,4-Hexadiyne-1,6-diol, 1,6-bis(4-methylbenzenesulfonate) is 418.05 g/mol.
Where can I buy 2,4-Hexadiyne-1,6-diol, 1,6-bis(4-methylbenzenesulfonate)?
You can request a quote for 2,4-Hexadiyne-1,6-diol, 1,6-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 2,4-Hexadiyne-1,6-diol, 1,6-bis(4-methylbenzenesulfonate)?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Hexadiyne-1,6-diol, 1,6-bis(4-methylbenzenesulfonate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.