1,1'-((Dimethylstannylene)bis(thio-2,1-ethanediyl)) dioctanoate
TL;DR: 1,1'-((Dimethylstannylene)bis(thio-2,1-ethanediyl)) dioctanoate (CAS 57813-60-2) is a chemical compound with molecular formula C22H44O4S2Sn and molecular weight 556.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[dimethyl(2-octanoyloxyethylsulfanyl)stannyl]sulfanylethyl octanoate
Also Known As: EINECS 260-972-9, Octanoic acid, (dimethylstannylene)bis(thio-2,1-ethanediyl) ester, (Dimethylstannylene)bis(thioethane-1,2-diyl) dioctanoate, 1,1'-((Dimethylstannylene)bis(thio-2,1-ethanediyl)) dioctanoate, Octanoic acid, 1,1'-((dimethylstannylene)bis(thio-2,1-ethanediyl)) ester
| Molecular Formula | C22H44O4S2Sn |
|---|---|
| Molecular Weight | 556.17 g/mol |
| LogP | 6.962 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 20 |
| Exact Mass | 556.1703 |
| Heavy Atoms | 29 |
| Complexity | 383.61646 |
Chemical Identifiers
| CAS Number | 57813-60-2 |
|---|---|
| SMILES | CCCCCCCC(=O)OCCS[Sn](C)(C)SCCOC(=O)CCCCCCC |
Product Overview
1,1'-((Dimethylstannylene)bis(thio-2,1-ethanediyl)) dioctanoate (CAS 57813-60-2), with molecular formula C22H44O4S2Sn and molecular weight 556.17 g/mol. IUPAC: 2-[dimethyl(2-octanoyloxyethylsulfanyl)stannyl]sulfanylethyl octanoate.
Chemical Property Profile of 1,1'-((Dimethylstannylene)bis(thio-2,1-ethanediyl)) dioctanoate
Property Insights of 1,1'-((Dimethylstannylene)bis(thio-2,1-ethanediyl)) dioctanoate
The XLogP value of 6.962 indicates that 1,1'-((Dimethylstannylene)bis(thio-2,1-ethanediyl)) dioctanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 1,1'-((Dimethylstannylene)bis(thio-2,1-ethanediyl)) dioctanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1'-((Dimethylstannylene)bis(thio-2,1-ethanediyl)) dioctanoate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,1'-((Dimethylstannylene)bis(thio-2,1-ethanediyl)) dioctanoate?
The CAS number of 1,1'-((Dimethylstannylene)bis(thio-2,1-ethanediyl)) dioctanoate is 57813-60-2.
What is the molecular formula of 1,1'-((Dimethylstannylene)bis(thio-2,1-ethanediyl)) dioctanoate?
The molecular formula of 1,1'-((Dimethylstannylene)bis(thio-2,1-ethanediyl)) dioctanoate is C22H44O4S2Sn.
What is the molecular weight of 1,1'-((Dimethylstannylene)bis(thio-2,1-ethanediyl)) dioctanoate?
The molecular weight of 1,1'-((Dimethylstannylene)bis(thio-2,1-ethanediyl)) dioctanoate is 556.17 g/mol.
Where can I buy 1,1'-((Dimethylstannylene)bis(thio-2,1-ethanediyl)) dioctanoate?
You can request a quote for 1,1'-((Dimethylstannylene)bis(thio-2,1-ethanediyl)) dioctanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-((Dimethylstannylene)bis(thio-2,1-ethanediyl)) dioctanoate?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-((Dimethylstannylene)bis(thio-2,1-ethanediyl)) dioctanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.