Triisooctyl 2,2',2''-((octylstannylidyne)tris(thio))triacetate
TL;DR: Triisooctyl 2,2',2''-((octylstannylidyne)tris(thio))triacetate (CAS 26401-86-5) is a chemical compound with molecular formula C38H74O6S3Sn and molecular weight 842.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methylheptyl 2-[bis[[2-(6-methylheptoxy)-2-oxoethyl]sulfanyl]-octylstannyl]sulfanylacetate
Also Known As: Galactosamine 1-phosphate, Monooctyltin tris(isooctylthioglycollate), Monooctyltin Tris(isooctyl mercaptoacetate), Triisooctyl 2,2',2''-((octylstannylidyne)tris(thio))triacetate, Triisooctyl 2,2',2''-[(octylstannylidyne)tris(thio)]triacetate
| Molecular Formula | C38H74O6S3Sn |
|---|---|
| Molecular Weight | 842.37 g/mol |
| LogP | 11.76 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 37 |
| Exact Mass | 842.36694 |
| Heavy Atoms | 48 |
| Complexity | 708.0 |
Chemical Identifiers
| CAS Number | 26401-86-5 |
|---|---|
| SMILES | CCCCCCCC[Sn](SCC(=O)OCCCCCC(C)C)(SCC(=O)OCCCCCC(C)C)SCC(=O)OCCCCCC(C)C |
| InChIKey | GNJDFZSTSXEBCH-UHFFFAOYSA-K |
Product Overview
Triisooctyl 2,2',2''-((octylstannylidyne)tris(thio))triacetate (CAS 26401-86-5), with molecular formula C38H74O6S3Sn and molecular weight 842.37 g/mol. IUPAC: 6-methylheptyl 2-[bis[[2-(6-methylheptoxy)-2-oxoethyl]sulfanyl]-octylstannyl]sulfanylacetate.
Chemical Property Profile of Triisooctyl 2,2',2''-((octylstannylidyne)tris(thio))triacetate
Property Insights of Triisooctyl 2,2',2''-((octylstannylidyne)tris(thio))triacetate
The XLogP value of 11.76 indicates that Triisooctyl 2,2',2''-((octylstannylidyne)tris(thio))triacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.0 Ų indicates high polarity, suggesting Triisooctyl 2,2',2''-((octylstannylidyne)tris(thio))triacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Triisooctyl 2,2',2''-((octylstannylidyne)tris(thio))triacetate 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 2,2',2''-((octylstannylidyne)tris(thio))triacetate?
The CAS number of Triisooctyl 2,2',2''-((octylstannylidyne)tris(thio))triacetate is 26401-86-5.
What is the molecular formula of Triisooctyl 2,2',2''-((octylstannylidyne)tris(thio))triacetate?
The molecular formula of Triisooctyl 2,2',2''-((octylstannylidyne)tris(thio))triacetate is C38H74O6S3Sn.
What is the molecular weight of Triisooctyl 2,2',2''-((octylstannylidyne)tris(thio))triacetate?
The molecular weight of Triisooctyl 2,2',2''-((octylstannylidyne)tris(thio))triacetate is 842.37 g/mol.
Where can I buy Triisooctyl 2,2',2''-((octylstannylidyne)tris(thio))triacetate?
You can request a quote for Triisooctyl 2,2',2''-((octylstannylidyne)tris(thio))triacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triisooctyl 2,2',2''-((octylstannylidyne)tris(thio))triacetate?
Yes, KEHONG BIO provides custom synthesis services for Triisooctyl 2,2',2''-((octylstannylidyne)tris(thio))triacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.