TL;DR: RefChem:548341 (CAS 26292-98-8) is a chemical compound with molecular formula C46H90O6S3Sn and molecular weight 954.4922 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dodecyl 2-[butyl-bis[(2-dodecoxy-2-oxoethyl)sulfanyl]stannyl]sulfanylacetate
Also Known As: Butyltintris(laurylmercapto acetate), Monobutyltin tris(dodecylmercapto acetate), Mono-n-butyltin-tris(dodecylmercapto acetate), Acetic acid, 2,2',2''-((butylstannylidyne)tris(thio)tris-, dodecyl ester, 8-Oxa-3,5-dithia-4-stannaeicosanoic acid, 4-butyl-4-((2-(dodecyloxy)-2-oxoethyl)thio)-7-oxo-, dodecyl ester
| Molecular Formula | C46H90O6S3Sn |
| Molecular Weight | 954.4922 g/mol |
| XLogP | 15.3173 |
| Topological Polar Surface Area (TPSA) | 155.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 48 |
| Exact Mass | 954.4922 Da |
| Heavy Atoms | 56 |
| Complexity | 777.0 |
| SMILES | CCCCCCCCCCCCOC(=O)CS[Sn](CCCC)(SCC(=O)OCCCCCCCCCCCC)SCC(=O)OCCCCCCCCCCCC |
| InChIKey | XGQTTWHUFMHJMA-UHFFFAOYSA-K |
The XLogP value of 15.3173 indicates that RefChem:548341 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.0 Ų indicates high polarity, suggesting RefChem:548341 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:548341 has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of RefChem:548341 is 26292-98-8.
The molecular formula of RefChem:548341 is C46H90O6S3Sn.
The molecular weight of RefChem:548341 is 954.4922 g/mol.
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