Dodecanoic acid, 1,1',1''-((butylstannylidyne)tris(thio-2,1-ethanediyl)) ester
TL;DR: Dodecanoic acid, 1,1',1''-((butylstannylidyne)tris(thio-2,1-ethanediyl)) ester (CAS 68928-52-9) is a chemical compound with molecular formula C46H90O6S3Sn and molecular weight 954.49 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[butyl-bis(2-dodecanoyloxyethylsulfanyl)stannyl]sulfanylethyl dodecanoate
Also Known As: tris trilaurate, (Butylstannylidyne)tris(thioethylene) trilaurate, Butyltintris(2-dodecanoyloxyethylmercaptide), Butyltintris(2-(dodecanoyloxy)ethylmercaptide), Butyltintris[2-(dodecanoyloxy)ethylmercaptide]
| Molecular Formula | C46H90O6S3Sn |
|---|---|
| Molecular Weight | 954.49 g/mol |
| LogP | 15.32 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 48 |
| Exact Mass | 954.4922 |
| Heavy Atoms | 56 |
| Complexity | 777.0 |
Chemical Identifiers
| CAS Number | 68928-52-9 |
|---|---|
| SMILES | CCCCCCCCCCCC(=O)OCCS[Sn](CCCC)(SCCOC(=O)CCCCCCCCCCC)SCCOC(=O)CCCCCCCCCCC |
| InChIKey | GXGIHTPVCOYQKU-UHFFFAOYSA-K |
Product Overview
Dodecanoic acid, 1,1',1''-((butylstannylidyne)tris(thio-2,1-ethanediyl)) ester (CAS 68928-52-9), with molecular formula C46H90O6S3Sn and molecular weight 954.49 g/mol. IUPAC: 2-[butyl-bis(2-dodecanoyloxyethylsulfanyl)stannyl]sulfanylethyl dodecanoate.
Chemical Property Profile of Dodecanoic acid, 1,1',1''-((butylstannylidyne)tris(thio-2,1-ethanediyl)) ester
Property Insights of Dodecanoic acid, 1,1',1''-((butylstannylidyne)tris(thio-2,1-ethanediyl)) ester
The XLogP value of 15.32 indicates that Dodecanoic acid, 1,1',1''-((butylstannylidyne)tris(thio-2,1-ethanediyl)) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.0 Ų indicates high polarity, suggesting Dodecanoic acid, 1,1',1''-((butylstannylidyne)tris(thio-2,1-ethanediyl)) ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dodecanoic acid, 1,1',1''-((butylstannylidyne)tris(thio-2,1-ethanediyl)) ester 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 Dodecanoic acid, 1,1',1''-((butylstannylidyne)tris(thio-2,1-ethanediyl)) ester?
The CAS number of Dodecanoic acid, 1,1',1''-((butylstannylidyne)tris(thio-2,1-ethanediyl)) ester is 68928-52-9.
What is the molecular formula of Dodecanoic acid, 1,1',1''-((butylstannylidyne)tris(thio-2,1-ethanediyl)) ester?
The molecular formula of Dodecanoic acid, 1,1',1''-((butylstannylidyne)tris(thio-2,1-ethanediyl)) ester is C46H90O6S3Sn.
What is the molecular weight of Dodecanoic acid, 1,1',1''-((butylstannylidyne)tris(thio-2,1-ethanediyl)) ester?
The molecular weight of Dodecanoic acid, 1,1',1''-((butylstannylidyne)tris(thio-2,1-ethanediyl)) ester is 954.49 g/mol.
Where can I buy Dodecanoic acid, 1,1',1''-((butylstannylidyne)tris(thio-2,1-ethanediyl)) ester?
You can request a quote for Dodecanoic acid, 1,1',1''-((butylstannylidyne)tris(thio-2,1-ethanediyl)) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dodecanoic acid, 1,1',1''-((butylstannylidyne)tris(thio-2,1-ethanediyl)) ester?
Yes, KEHONG BIO provides custom synthesis services for Dodecanoic acid, 1,1',1''-((butylstannylidyne)tris(thio-2,1-ethanediyl)) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.