(2r,5s)-1,4-Dioxane-2,5-diyldimethanediyl bis(4-methylbenzenesulfonate)
TL;DR: (2r,5s)-1,4-Dioxane-2,5-diyldimethanediyl bis(4-methylbenzenesulfonate) (CAS 92019-76-6) is a chemical compound with molecular formula C20H24O8S2 and molecular weight 456.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,5R)-5-[(4-methylphenyl)sulfonyloxymethyl]-1,4-dioxan-2-yl]methyl 4-methylbenzenesulfonate
Also Known As: KST-1A8907, (2r,5s)-1,4-dioxane-2,5-diyldimethanediyl bis(4-methylbenzenesulfonate), trans-2,5-Bis-(toluol-4-sulfonyloxymethyl)-[1,4]dioxan, [(2S,5R)-5-[(4-methylphenyl)sulfonyloxymethyl]-1,4-dioxan-2-yl]methyl 4-methylbenzenesulfonate, [(2R,5S)-1,4-Dioxane-2,5-diyl]bis(methylene) bis(4-methylbenzene-1-sulfonate)
| Molecular Formula | C20H24O8S2 |
|---|---|
| Molecular Weight | 456.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 456.09125 |
| Heavy Atoms | 30 |
| Complexity | 660.0 |
Chemical Identifiers
| CAS Number | 92019-76-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]2CO[C@@H](CO2)COS(=O)(=O)C3=CC=C(C=C3)C |
| InChIKey | ZWQHYTBRRKEKBF-HDICACEKSA-N |
Product Overview
(2r,5s)-1,4-Dioxane-2,5-diyldimethanediyl bis(4-methylbenzenesulfonate) (CAS 92019-76-6), with molecular formula C20H24O8S2 and molecular weight 456.09 g/mol. IUPAC: [(2S,5R)-5-[(4-methylphenyl)sulfonyloxymethyl]-1,4-dioxan-2-yl]methyl 4-methylbenzenesulfonate.
Chemical Property Profile of (2r,5s)-1,4-Dioxane-2,5-diyldimethanediyl bis(4-methylbenzenesulfonate)
Property Insights of (2r,5s)-1,4-Dioxane-2,5-diyldimethanediyl bis(4-methylbenzenesulfonate)
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2r,5s)-1,4-Dioxane-2,5-diyldimethanediyl bis(4-methylbenzenesulfonate). The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2r,5s)-1,4-Dioxane-2,5-diyldimethanediyl bis(4-methylbenzenesulfonate). Following Lipinski's Rule of Five, (2r,5s)-1,4-Dioxane-2,5-diyldimethanediyl bis(4-methylbenzenesulfonate) has 0 hydrogen bond donor(s) and 8 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 (2r,5s)-1,4-Dioxane-2,5-diyldimethanediyl bis(4-methylbenzenesulfonate)?
The CAS number of (2r,5s)-1,4-Dioxane-2,5-diyldimethanediyl bis(4-methylbenzenesulfonate) is 92019-76-6.
What is the molecular formula of (2r,5s)-1,4-Dioxane-2,5-diyldimethanediyl bis(4-methylbenzenesulfonate)?
The molecular formula of (2r,5s)-1,4-Dioxane-2,5-diyldimethanediyl bis(4-methylbenzenesulfonate) is C20H24O8S2.
What is the molecular weight of (2r,5s)-1,4-Dioxane-2,5-diyldimethanediyl bis(4-methylbenzenesulfonate)?
The molecular weight of (2r,5s)-1,4-Dioxane-2,5-diyldimethanediyl bis(4-methylbenzenesulfonate) is 456.09 g/mol.
Where can I buy (2r,5s)-1,4-Dioxane-2,5-diyldimethanediyl bis(4-methylbenzenesulfonate)?
You can request a quote for (2r,5s)-1,4-Dioxane-2,5-diyldimethanediyl 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 (2r,5s)-1,4-Dioxane-2,5-diyldimethanediyl bis(4-methylbenzenesulfonate)?
Yes, KEHONG BIO provides custom synthesis services for (2r,5s)-1,4-Dioxane-2,5-diyldimethanediyl bis(4-methylbenzenesulfonate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.