Triisooctyl 3,3',3''-((octylstannylidyne)tris(thio))trispropionate
TL;DR: Triisooctyl 3,3',3''-((octylstannylidyne)tris(thio))trispropionate (CAS 60585-20-8) is a chemical compound with molecular formula C41H80O6S3Sn and molecular weight 884.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methylheptyl 3-[bis[[3-(6-methylheptoxy)-3-oxopropyl]sulfanyl]-octylstannyl]sulfanylpropanoate
Also Known As: Triisooctyl 3,3',3''-((octylstannylidyne)tris(thio))trispropionate, triisooctyl3,3',3''-[ tris ]trispropionate, Triisooctyl 3,3',3''-[(octylstannylidyne)tris(thio)]trispropionate, 6-methylheptyl 3-[bis[[3-(6-methylheptoxy)-3-oxopropyl]sulfanyl]-octylstannyl]sulfanylpropanoate, 262-313-0
| Molecular Formula | C41H80O6S3Sn |
|---|---|
| Molecular Weight | 884.41 g/mol |
| LogP | 12.93 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 40 |
| Exact Mass | 884.4139 |
| Heavy Atoms | 51 |
| Complexity | 749.0 |
Chemical Identifiers
| CAS Number | 60585-20-8 |
|---|---|
| SMILES | CCCCCCCC[Sn](SCCC(=O)OCCCCCC(C)C)(SCCC(=O)OCCCCCC(C)C)SCCC(=O)OCCCCCC(C)C |
| InChIKey | GOEHGZFSFWCKRR-UHFFFAOYSA-K |
Product Overview
Triisooctyl 3,3',3''-((octylstannylidyne)tris(thio))trispropionate (CAS 60585-20-8), with molecular formula C41H80O6S3Sn and molecular weight 884.41 g/mol. IUPAC: 6-methylheptyl 3-[bis[[3-(6-methylheptoxy)-3-oxopropyl]sulfanyl]-octylstannyl]sulfanylpropanoate.
Chemical Property Profile of Triisooctyl 3,3',3''-((octylstannylidyne)tris(thio))trispropionate
Property Insights of Triisooctyl 3,3',3''-((octylstannylidyne)tris(thio))trispropionate
The XLogP value of 12.93 indicates that Triisooctyl 3,3',3''-((octylstannylidyne)tris(thio))trispropionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.0 Ų indicates high polarity, suggesting Triisooctyl 3,3',3''-((octylstannylidyne)tris(thio))trispropionate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Triisooctyl 3,3',3''-((octylstannylidyne)tris(thio))trispropionate has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Triisooctyl 3,3',3''-((octylstannylidyne)tris(thio))trispropionate?
The CAS number of Triisooctyl 3,3',3''-((octylstannylidyne)tris(thio))trispropionate is 60585-20-8.
What is the molecular formula of Triisooctyl 3,3',3''-((octylstannylidyne)tris(thio))trispropionate?
The molecular formula of Triisooctyl 3,3',3''-((octylstannylidyne)tris(thio))trispropionate is C41H80O6S3Sn.
What is the molecular weight of Triisooctyl 3,3',3''-((octylstannylidyne)tris(thio))trispropionate?
The molecular weight of Triisooctyl 3,3',3''-((octylstannylidyne)tris(thio))trispropionate is 884.41 g/mol.
Where can I buy Triisooctyl 3,3',3''-((octylstannylidyne)tris(thio))trispropionate?
You can request a quote for Triisooctyl 3,3',3''-((octylstannylidyne)tris(thio))trispropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triisooctyl 3,3',3''-((octylstannylidyne)tris(thio))trispropionate?
Yes, KEHONG BIO provides custom synthesis services for Triisooctyl 3,3',3''-((octylstannylidyne)tris(thio))trispropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.