Dodecyltin tris(isooctyl thioglycolate)
TL;DR: Dodecyltin tris(isooctyl thioglycolate) (CAS 67649-65-4) is a chemical compound with molecular formula C42H82O6S3Sn and molecular weight 898.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methylheptyl 2-[dodecyl-bis[[2-(6-methylheptoxy)-2-oxoethyl]sulfanyl]stannyl]sulfanylacetate
Also Known As: Dodecyltin tris(isooctyl thioglycolate), Triisooctyl 2,2',2''-((dodecylstannylidyne)tris(thio))triacetate, Triisooctyl 2,2',2''-[(dodecylstannylidyne)tris(thio)]triacetate, N-DODECYLTIN S,S",S"- TRIS(ISOOCTYLMERCAPTOACETATE), N-DODECYLTIN S,S",S"-TRIS(ISOOCTYLMERCAPTOACETATE)
| Molecular Formula | C42H82O6S3Sn |
|---|---|
| Molecular Weight | 898.43 g/mol |
| LogP | 13.3246 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 41 |
| Exact Mass | 898.42957 |
| Heavy Atoms | 52 |
| Complexity | 769.0 |
Chemical Identifiers
| CAS Number | 67649-65-4 |
|---|---|
| SMILES | CCCCCCCCCCCC[Sn](SCC(=O)OCCCCCC(C)C)(SCC(=O)OCCCCCC(C)C)SCC(=O)OCCCCCC(C)C |
| InChIKey | BRTAUCXEBFNCRH-UHFFFAOYSA-K |
Product Overview
Dodecyltin tris(isooctyl thioglycolate) (CAS 67649-65-4), with molecular formula C42H82O6S3Sn and molecular weight 898.43 g/mol. IUPAC: 6-methylheptyl 2-[dodecyl-bis[[2-(6-methylheptoxy)-2-oxoethyl]sulfanyl]stannyl]sulfanylacetate.
Chemical Property Profile of Dodecyltin tris(isooctyl thioglycolate)
Property Insights of Dodecyltin tris(isooctyl thioglycolate)
The XLogP value of 13.3246 indicates that Dodecyltin tris(isooctyl thioglycolate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.0 Ų indicates high polarity, suggesting Dodecyltin tris(isooctyl thioglycolate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dodecyltin tris(isooctyl thioglycolate) 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 Dodecyltin tris(isooctyl thioglycolate)?
The CAS number of Dodecyltin tris(isooctyl thioglycolate) is 67649-65-4.
What is the molecular formula of Dodecyltin tris(isooctyl thioglycolate)?
The molecular formula of Dodecyltin tris(isooctyl thioglycolate) is C42H82O6S3Sn.
What is the molecular weight of Dodecyltin tris(isooctyl thioglycolate)?
The molecular weight of Dodecyltin tris(isooctyl thioglycolate) is 898.43 g/mol.
Where can I buy Dodecyltin tris(isooctyl thioglycolate)?
You can request a quote for Dodecyltin tris(isooctyl thioglycolate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dodecyltin tris(isooctyl thioglycolate)?
Yes, KEHONG BIO provides custom synthesis services for Dodecyltin tris(isooctyl thioglycolate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.