Triisooctyl 3,3',3''-((dodecylstannylidyne)tris(thio))tripropionate
TL;DR: Triisooctyl 3,3',3''-((dodecylstannylidyne)tris(thio))tripropionate (CAS 64926-50-7) is a chemical compound with molecular formula C45H88O6S3Sn and molecular weight 940.48 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methylheptyl 3-[dodecyl-bis[[3-(6-methylheptoxy)-3-oxopropyl]sulfanyl]stannyl]sulfanylpropanoate
Also Known As: EINECS 265-283-7, Triisooctyl 3,3',3''-((dodecylstannylidyne)tris(thio))tripropionate, Propanoic acid,3,3',3''-[(dodecylstannylidyne)tris(thio)]tris-, triisooctyl ester (9CI), 6-methylheptyl 3-[dodecyl-bis[[3-(6-methylheptoxy)-3-oxopropyl]sulfanyl]stannyl]sulfanylpropanoate
| Molecular Formula | C45H88O6S3Sn |
|---|---|
| Molecular Weight | 940.48 g/mol |
| LogP | 14.4949 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 41 |
| Exact Mass | 940.4765 |
| Heavy Atoms | 55 |
| Complexity | 810.7431 |
Chemical Identifiers
| CAS Number | 64926-50-7 |
|---|---|
| SMILES | CCCCCCCCCCCC[Sn](SCCC(=O)OCCCCCC(C)C)(SCCC(=O)OCCCCCC(C)C)SCCC(=O)OCCCCCC(C)C |
Product Overview
Triisooctyl 3,3',3''-((dodecylstannylidyne)tris(thio))tripropionate (CAS 64926-50-7), with molecular formula C45H88O6S3Sn and molecular weight 940.48 g/mol. IUPAC: 6-methylheptyl 3-[dodecyl-bis[[3-(6-methylheptoxy)-3-oxopropyl]sulfanyl]stannyl]sulfanylpropanoate.
Chemical Property Profile of Triisooctyl 3,3',3''-((dodecylstannylidyne)tris(thio))tripropionate
Property Insights of Triisooctyl 3,3',3''-((dodecylstannylidyne)tris(thio))tripropionate
The XLogP value of 14.4949 indicates that Triisooctyl 3,3',3''-((dodecylstannylidyne)tris(thio))tripropionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Triisooctyl 3,3',3''-((dodecylstannylidyne)tris(thio))tripropionate. Following Lipinski's Rule of Five, Triisooctyl 3,3',3''-((dodecylstannylidyne)tris(thio))tripropionate 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''-((dodecylstannylidyne)tris(thio))tripropionate?
The CAS number of Triisooctyl 3,3',3''-((dodecylstannylidyne)tris(thio))tripropionate is 64926-50-7.
What is the molecular formula of Triisooctyl 3,3',3''-((dodecylstannylidyne)tris(thio))tripropionate?
The molecular formula of Triisooctyl 3,3',3''-((dodecylstannylidyne)tris(thio))tripropionate is C45H88O6S3Sn.
What is the molecular weight of Triisooctyl 3,3',3''-((dodecylstannylidyne)tris(thio))tripropionate?
The molecular weight of Triisooctyl 3,3',3''-((dodecylstannylidyne)tris(thio))tripropionate is 940.48 g/mol.
Where can I buy Triisooctyl 3,3',3''-((dodecylstannylidyne)tris(thio))tripropionate?
You can request a quote for Triisooctyl 3,3',3''-((dodecylstannylidyne)tris(thio))tripropionate 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''-((dodecylstannylidyne)tris(thio))tripropionate?
Yes, KEHONG BIO provides custom synthesis services for Triisooctyl 3,3',3''-((dodecylstannylidyne)tris(thio))tripropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.