Bis((5-ethyl-1,3-dioxan-5-yl)methyl) thioperoxydicarbonate
TL;DR: Bis((5-ethyl-1,3-dioxan-5-yl)methyl) thioperoxydicarbonate (CAS 53461-86-2) is a chemical compound with molecular formula C16H26O6S4 and molecular weight 442.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-[(5-ethyl-1,3-dioxan-5-yl)methyl] [(5-ethyl-1,3-dioxan-5-yl)methoxycarbothioyldisulfanyl]methanethioate
Also Known As: bis[methyl]thioperoxydicarbonate, Bis((5-ethyl-1,3-dioxan-5-yl)methyl) thioperoxydicarbonate, bis[(5-Ethyl-1,3-dioxan-5-yl)methyl] thioperoxydicarbonate, 5,5'-[disulfanediylbis(carbonothioyloxymethanediyl)]bis(5-ethyl-1,3-dioxane), 5,5'-[Disulfanediylbis(carbonothioyloxymethylene)]bis(5-ethyl-1,3-dioxane)
| Molecular Formula | C16H26O6S4 |
|---|---|
| Molecular Weight | 442.06 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 170.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 442.06122 |
| Heavy Atoms | 26 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 53461-86-2 |
|---|---|
| SMILES | CCC1(COCOC1)COC(=S)SSC(=S)OCC2(COCOC2)CC |
| InChIKey | CIGCHYLTWDTUCB-UHFFFAOYSA-N |
Product Overview
Bis((5-ethyl-1,3-dioxan-5-yl)methyl) thioperoxydicarbonate (CAS 53461-86-2), with molecular formula C16H26O6S4 and molecular weight 442.06 g/mol. IUPAC: O-[(5-ethyl-1,3-dioxan-5-yl)methyl] [(5-ethyl-1,3-dioxan-5-yl)methoxycarbothioyldisulfanyl]methanethioate.
Chemical Property Profile of Bis((5-ethyl-1,3-dioxan-5-yl)methyl) thioperoxydicarbonate
Property Insights of Bis((5-ethyl-1,3-dioxan-5-yl)methyl) thioperoxydicarbonate
The XLogP value of 3.6 indicates that Bis((5-ethyl-1,3-dioxan-5-yl)methyl) thioperoxydicarbonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 170.0 Ų indicates high polarity, suggesting Bis((5-ethyl-1,3-dioxan-5-yl)methyl) thioperoxydicarbonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bis((5-ethyl-1,3-dioxan-5-yl)methyl) thioperoxydicarbonate has 0 hydrogen bond donor(s) and 10 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 Bis((5-ethyl-1,3-dioxan-5-yl)methyl) thioperoxydicarbonate?
The CAS number of Bis((5-ethyl-1,3-dioxan-5-yl)methyl) thioperoxydicarbonate is 53461-86-2.
What is the molecular formula of Bis((5-ethyl-1,3-dioxan-5-yl)methyl) thioperoxydicarbonate?
The molecular formula of Bis((5-ethyl-1,3-dioxan-5-yl)methyl) thioperoxydicarbonate is C16H26O6S4.
What is the molecular weight of Bis((5-ethyl-1,3-dioxan-5-yl)methyl) thioperoxydicarbonate?
The molecular weight of Bis((5-ethyl-1,3-dioxan-5-yl)methyl) thioperoxydicarbonate is 442.06 g/mol.
Where can I buy Bis((5-ethyl-1,3-dioxan-5-yl)methyl) thioperoxydicarbonate?
You can request a quote for Bis((5-ethyl-1,3-dioxan-5-yl)methyl) thioperoxydicarbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis((5-ethyl-1,3-dioxan-5-yl)methyl) thioperoxydicarbonate?
Yes, KEHONG BIO provides custom synthesis services for Bis((5-ethyl-1,3-dioxan-5-yl)methyl) thioperoxydicarbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.