Diisooctyl 3,3'-((dioctylstannylene)bis(thio))dipropionate
TL;DR: Diisooctyl 3,3'-((dioctylstannylene)bis(thio))dipropionate (CAS 50788-67-5) is a chemical compound with molecular formula C38H76O4S2Sn and molecular weight 780.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methylheptyl 3-[[3-(6-methylheptoxy)-3-oxopropyl]sulfanyl-dioctylstannyl]sulfanylpropanoate
Also Known As: EINECS 256-762-1, Diisooctyl 3,3'-((dioctylstannylene)bis(thio))dipropionate, Dioctyltinbis(isooctyl beta-mercaptopropionate), Diisooctyl 3,3'-[(dioctylstannylene)bis(thio)]dipropionate, Propanoic acid,3,3'-[(dioctylstannylene)bis(thio)]bis-, diisooctyl ester (9CI)
| Molecular Formula | C38H76O4S2Sn |
|---|---|
| Molecular Weight | 780.42 g/mol |
| LogP | 12.9154 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 34 |
| Exact Mass | 780.4207 |
| Heavy Atoms | 45 |
| Complexity | 618.1359 |
Chemical Identifiers
| CAS Number | 50788-67-5 |
|---|---|
| SMILES | CCCCCCCC[Sn](CCCCCCCC)(SCCC(=O)OCCCCCC(C)C)SCCC(=O)OCCCCCC(C)C |
Product Overview
Diisooctyl 3,3'-((dioctylstannylene)bis(thio))dipropionate (CAS 50788-67-5), with molecular formula C38H76O4S2Sn and molecular weight 780.42 g/mol. IUPAC: 6-methylheptyl 3-[[3-(6-methylheptoxy)-3-oxopropyl]sulfanyl-dioctylstannyl]sulfanylpropanoate.
Chemical Property Profile of Diisooctyl 3,3'-((dioctylstannylene)bis(thio))dipropionate
Property Insights of Diisooctyl 3,3'-((dioctylstannylene)bis(thio))dipropionate
The XLogP value of 12.9154 indicates that Diisooctyl 3,3'-((dioctylstannylene)bis(thio))dipropionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Diisooctyl 3,3'-((dioctylstannylene)bis(thio))dipropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diisooctyl 3,3'-((dioctylstannylene)bis(thio))dipropionate 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 Diisooctyl 3,3'-((dioctylstannylene)bis(thio))dipropionate?
The CAS number of Diisooctyl 3,3'-((dioctylstannylene)bis(thio))dipropionate is 50788-67-5.
What is the molecular formula of Diisooctyl 3,3'-((dioctylstannylene)bis(thio))dipropionate?
The molecular formula of Diisooctyl 3,3'-((dioctylstannylene)bis(thio))dipropionate is C38H76O4S2Sn.
What is the molecular weight of Diisooctyl 3,3'-((dioctylstannylene)bis(thio))dipropionate?
The molecular weight of Diisooctyl 3,3'-((dioctylstannylene)bis(thio))dipropionate is 780.42 g/mol.
Where can I buy Diisooctyl 3,3'-((dioctylstannylene)bis(thio))dipropionate?
You can request a quote for Diisooctyl 3,3'-((dioctylstannylene)bis(thio))dipropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diisooctyl 3,3'-((dioctylstannylene)bis(thio))dipropionate?
Yes, KEHONG BIO provides custom synthesis services for Diisooctyl 3,3'-((dioctylstannylene)bis(thio))dipropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.