Octadecanoic acid, 1,1'-(thiodi-2,1-ethanediyl) ester
TL;DR: Octadecanoic acid, 1,1'-(thiodi-2,1-ethanediyl) ester (CAS 4275-32-5) is a chemical compound with molecular formula C40H78O4S and molecular weight 654.56 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-octadecanoyloxyethylsulfanyl)ethyl octadecanoate
Also Known As: Thiodiglycol distearate, Thiodiglycoldioctadecanoat, Dioctadecanoicacidthiobis ester, Thiobis(ethane-2,1-diyl) distearate, Octadecanoic acid, thiodi-2,1-ethanediyl ester
| Molecular Formula | C40H78O4S |
|---|---|
| Molecular Weight | 654.56 g/mol |
| LogP | 17.5 |
| Topological Polar Surface Area | 77.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 40 |
| Exact Mass | 654.5621 |
| Heavy Atoms | 45 |
| Complexity | 547.0 |
Chemical Identifiers
| CAS Number | 4275-32-5 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCCSCCOC(=O)CCCCCCCCCCCCCCCCC |
| InChIKey | TVMWUKISXDJCQQ-UHFFFAOYSA-N |
Product Overview
Octadecanoic acid, 1,1'-(thiodi-2,1-ethanediyl) ester (CAS 4275-32-5), with molecular formula C40H78O4S and molecular weight 654.56 g/mol. IUPAC: 2-(2-octadecanoyloxyethylsulfanyl)ethyl octadecanoate.
Chemical Property Profile of Octadecanoic acid, 1,1'-(thiodi-2,1-ethanediyl) ester
Property Insights of Octadecanoic acid, 1,1'-(thiodi-2,1-ethanediyl) ester
The XLogP value of 17.5 indicates that Octadecanoic acid, 1,1'-(thiodi-2,1-ethanediyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Octadecanoic acid, 1,1'-(thiodi-2,1-ethanediyl) ester. Following Lipinski's Rule of Five, Octadecanoic acid, 1,1'-(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 Octadecanoic acid, 1,1'-(thiodi-2,1-ethanediyl) ester?
The CAS number of Octadecanoic acid, 1,1'-(thiodi-2,1-ethanediyl) ester is 4275-32-5.
What is the molecular formula of Octadecanoic acid, 1,1'-(thiodi-2,1-ethanediyl) ester?
The molecular formula of Octadecanoic acid, 1,1'-(thiodi-2,1-ethanediyl) ester is C40H78O4S.
What is the molecular weight of Octadecanoic acid, 1,1'-(thiodi-2,1-ethanediyl) ester?
The molecular weight of Octadecanoic acid, 1,1'-(thiodi-2,1-ethanediyl) ester is 654.56 g/mol.
Where can I buy Octadecanoic acid, 1,1'-(thiodi-2,1-ethanediyl) ester?
You can request a quote for Octadecanoic acid, 1,1'-(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 Octadecanoic acid, 1,1'-(thiodi-2,1-ethanediyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Octadecanoic acid, 1,1'-(thiodi-2,1-ethanediyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.