Docosanoic acid, thiodi-2,1-ethanediyl ester
TL;DR: Docosanoic acid, thiodi-2,1-ethanediyl ester (CAS 61682-69-7) is a chemical compound with molecular formula C48H94O4S and molecular weight 766.69 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-docosanoyloxyethylsulfanyl)ethyl docosanoate
Also Known As: Thiodiethylene docosanoate, Thiodiglycol dibehenate, Docosanoic acid, thiodi-2,1-ethanediyl ester, Sulfanediyldi(ethane-2,1-diyl) didocosanoate, 2-(2-docosanoyloxyethylsulfanyl)ethyl docosanoate
| Molecular Formula | C48H94O4S |
|---|---|
| Molecular Weight | 766.69 g/mol |
| LogP | 16.4498 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 46 |
| Exact Mass | 766.68726 |
| Heavy Atoms | 53 |
| Complexity | 655.65344 |
Chemical Identifiers
| CAS Number | 61682-69-7 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCCCCC(=O)OCCSCCOC(=O)CCCCCCCCCCCCCCCCCCCCC |
Product Overview
Docosanoic acid, thiodi-2,1-ethanediyl ester (CAS 61682-69-7), with molecular formula C48H94O4S and molecular weight 766.69 g/mol. IUPAC: 2-(2-docosanoyloxyethylsulfanyl)ethyl docosanoate.
Chemical Property Profile of Docosanoic acid, thiodi-2,1-ethanediyl ester
Property Insights of Docosanoic acid, thiodi-2,1-ethanediyl ester
The XLogP value of 16.4498 indicates that Docosanoic acid, thiodi-2,1-ethanediyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Docosanoic acid, thiodi-2,1-ethanediyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Docosanoic acid, thiodi-2,1-ethanediyl ester has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Docosanoic acid, thiodi-2,1-ethanediyl ester?
The CAS number of Docosanoic acid, thiodi-2,1-ethanediyl ester is 61682-69-7.
What is the molecular formula of Docosanoic acid, thiodi-2,1-ethanediyl ester?
The molecular formula of Docosanoic acid, thiodi-2,1-ethanediyl ester is C48H94O4S.
What is the molecular weight of Docosanoic acid, thiodi-2,1-ethanediyl ester?
The molecular weight of Docosanoic acid, thiodi-2,1-ethanediyl ester is 766.69 g/mol.
Where can I buy Docosanoic acid, thiodi-2,1-ethanediyl ester?
You can request a quote for Docosanoic acid, thiodi-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 Docosanoic acid, thiodi-2,1-ethanediyl ester?
Yes, KEHONG BIO provides custom synthesis services for Docosanoic acid, thiodi-2,1-ethanediyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.