Hexane-2,5-diyl bis(4-methylbenzenesulfonate)
TL;DR: Hexane-2,5-diyl bis(4-methylbenzenesulfonate) (CAS 68439-48-5) is a chemical compound with molecular formula C20H26O6S2 and molecular weight 426.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methylphenyl)sulfonyloxyhexan-2-yl 4-methylbenzenesulfonate
Also Known As: hexane-2,5-diyl bis(4-methylbenzenesulfonate), 2,5-Hexanediol,2,5-bis(4-methylbenzenesulfonate), Hexane-2,5-diyl bis(4-methylbenzene-1-sulfonate), 5-(4-methylphenyl)sulfonyloxyhexan-2-yl 4-methylbenzenesulfonate, 5-(4-methylphenyl)sulfonyloxyhexan-2-yl 4-methylbenzenesulfo
| Molecular Formula | C20H26O6S2 |
|---|---|
| Molecular Weight | 426.12 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 426.1171 |
| Heavy Atoms | 28 |
| Complexity | 600.0 |
Chemical Identifiers
| CAS Number | 68439-48-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC(C)CCC(C)OS(=O)(=O)C2=CC=C(C=C2)C |
| InChIKey | SNJPXWHJRLGQKM-UHFFFAOYSA-N |
Product Overview
Hexane-2,5-diyl bis(4-methylbenzenesulfonate) (CAS 68439-48-5), with molecular formula C20H26O6S2 and molecular weight 426.12 g/mol. IUPAC: 5-(4-methylphenyl)sulfonyloxyhexan-2-yl 4-methylbenzenesulfonate.
Chemical Property Profile of Hexane-2,5-diyl bis(4-methylbenzenesulfonate)
Property Insights of Hexane-2,5-diyl bis(4-methylbenzenesulfonate)
The XLogP value of 4.5 indicates that Hexane-2,5-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 Hexane-2,5-diyl bis(4-methylbenzenesulfonate). Following Lipinski's Rule of Five, Hexane-2,5-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 Hexane-2,5-diyl bis(4-methylbenzenesulfonate)?
The CAS number of Hexane-2,5-diyl bis(4-methylbenzenesulfonate) is 68439-48-5.
What is the molecular formula of Hexane-2,5-diyl bis(4-methylbenzenesulfonate)?
The molecular formula of Hexane-2,5-diyl bis(4-methylbenzenesulfonate) is C20H26O6S2.
What is the molecular weight of Hexane-2,5-diyl bis(4-methylbenzenesulfonate)?
The molecular weight of Hexane-2,5-diyl bis(4-methylbenzenesulfonate) is 426.12 g/mol.
Where can I buy Hexane-2,5-diyl bis(4-methylbenzenesulfonate)?
You can request a quote for Hexane-2,5-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 Hexane-2,5-diyl bis(4-methylbenzenesulfonate)?
Yes, KEHONG BIO provides custom synthesis services for Hexane-2,5-diyl bis(4-methylbenzenesulfonate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.