2,13-Dimethyl-6,9-dioxo-5,10-dioxa-2,13-dithioniatetradecane diiodide
TL;DR: 2,13-Dimethyl-6,9-dioxo-5,10-dioxa-2,13-dithioniatetradecane diiodide (CAS 4727-45-1) is a chemical compound with molecular formula C12H24I2O4S2 and molecular weight 549.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(2-dimethylsulfonioethoxy)-4-oxobutanoyl]oxyethyl-dimethylsulfanium diiodide
Also Known As: EINECS 225-222-7, 2,13-Dimethyl-6,9-dioxo-5,10-dioxa-2,13-dithioniatetradecane diiodide, Butanedioic acid,iodide, 1,4-bis[2-(dimethylthio)ethyl] ester (1:2), [(1,4-Dioxobutane-1,4-diyl)bis(oxyethane-2,1-diyl)]bis(dimethylsulfanium) diiodide, 2-[4-(2-dimethylsulfonioethoxy)-4-oxobutanoyl]oxyethyl-dimethylsulfanium diiodide
| Molecular Formula | C12H24I2O4S2 |
|---|---|
| Molecular Weight | 549.92 g/mol |
| LogP | -5.3832 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 549.92053 |
| Heavy Atoms | 20 |
| Complexity | 237.84187 |
Chemical Identifiers
| CAS Number | 4727-45-1 |
|---|---|
| SMILES | C[S+](C)CCOC(=O)CCC(=O)OCC[S+](C)C.[I-].[I-] |
Product Overview
2,13-Dimethyl-6,9-dioxo-5,10-dioxa-2,13-dithioniatetradecane diiodide (CAS 4727-45-1), with molecular formula C12H24I2O4S2 and molecular weight 549.92 g/mol. IUPAC: 2-[4-(2-dimethylsulfonioethoxy)-4-oxobutanoyl]oxyethyl-dimethylsulfanium diiodide.
Chemical Property Profile of 2,13-Dimethyl-6,9-dioxo-5,10-dioxa-2,13-dithioniatetradecane diiodide
Property Insights of 2,13-Dimethyl-6,9-dioxo-5,10-dioxa-2,13-dithioniatetradecane diiodide
The XLogP value of -5.3832 indicates that 2,13-Dimethyl-6,9-dioxo-5,10-dioxa-2,13-dithioniatetradecane diiodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.6 Ų, 2,13-Dimethyl-6,9-dioxo-5,10-dioxa-2,13-dithioniatetradecane diiodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,13-Dimethyl-6,9-dioxo-5,10-dioxa-2,13-dithioniatetradecane diiodide has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,13-Dimethyl-6,9-dioxo-5,10-dioxa-2,13-dithioniatetradecane diiodide?
The CAS number of 2,13-Dimethyl-6,9-dioxo-5,10-dioxa-2,13-dithioniatetradecane diiodide is 4727-45-1.
What is the molecular formula of 2,13-Dimethyl-6,9-dioxo-5,10-dioxa-2,13-dithioniatetradecane diiodide?
The molecular formula of 2,13-Dimethyl-6,9-dioxo-5,10-dioxa-2,13-dithioniatetradecane diiodide is C12H24I2O4S2.
What is the molecular weight of 2,13-Dimethyl-6,9-dioxo-5,10-dioxa-2,13-dithioniatetradecane diiodide?
The molecular weight of 2,13-Dimethyl-6,9-dioxo-5,10-dioxa-2,13-dithioniatetradecane diiodide is 549.92 g/mol.
Where can I buy 2,13-Dimethyl-6,9-dioxo-5,10-dioxa-2,13-dithioniatetradecane diiodide?
You can request a quote for 2,13-Dimethyl-6,9-dioxo-5,10-dioxa-2,13-dithioniatetradecane diiodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,13-Dimethyl-6,9-dioxo-5,10-dioxa-2,13-dithioniatetradecane diiodide?
Yes, KEHONG BIO provides custom synthesis services for 2,13-Dimethyl-6,9-dioxo-5,10-dioxa-2,13-dithioniatetradecane diiodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.