Trioleoylthioglycerol
TL;DR: Trioleoylthioglycerol (CAS 69222-83-9) is a chemical compound with molecular formula C57H104O5S and molecular weight 900.76 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(E)-octadec-9-enoyl]oxy-3-[(Z)-octadec-9-enoyl]sulfanylpropyl] (E)-octadec-9-enoate
Also Known As: Trioleoylthioglycerol, rac-1,2-Di-O-oleoyl-3-S-oleoyl-3-thioglycerol, [2-[(E)-octadec-9-enoyl]oxy-3-[(Z)-octadec-9-enoyl]sulfanylpropyl] (E)-octadec-9-enoate, 9-Octadecenoic acid (Z)-, 1-(((1-oxo-9-octadecenyl)thio)methyl)-1,2-ethanediyl ester, (Z)-(+-)-, RefChem:191861
| Molecular Formula | C57H104O5S |
|---|---|
| Molecular Weight | 900.76 g/mol |
| LogP | 18.8137 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 50 |
| Exact Mass | 900.76044 |
| Heavy Atoms | 63 |
| Complexity | 1010.7408 |
Chemical Identifiers
| CAS Number | 69222-83-9 |
|---|---|
| SMILES | CCCCCCCC/C=C/CCCCCCCC(=O)OCC(CSC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C/CCCCCCCC |
Product Overview
Trioleoylthioglycerol (CAS 69222-83-9), with molecular formula C57H104O5S and molecular weight 900.76 g/mol. IUPAC: [2-[(E)-octadec-9-enoyl]oxy-3-[(Z)-octadec-9-enoyl]sulfanylpropyl] (E)-octadec-9-enoate.
Chemical Property Profile of Trioleoylthioglycerol
Property Insights of Trioleoylthioglycerol
The XLogP value of 18.8137 indicates that Trioleoylthioglycerol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Trioleoylthioglycerol. Following Lipinski's Rule of Five, Trioleoylthioglycerol has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Trioleoylthioglycerol?
The CAS number of Trioleoylthioglycerol is 69222-83-9.
What is the molecular formula of Trioleoylthioglycerol?
The molecular formula of Trioleoylthioglycerol is C57H104O5S.
What is the molecular weight of Trioleoylthioglycerol?
The molecular weight of Trioleoylthioglycerol is 900.76 g/mol.
Where can I buy Trioleoylthioglycerol?
You can request a quote for Trioleoylthioglycerol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trioleoylthioglycerol?
Yes, KEHONG BIO provides custom synthesis services for Trioleoylthioglycerol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.