![Octadecanoic acid, 1,1'-[2-ethyl-2-(hydroxymethyl)-1,3-propanediyl] ester structure](/static/products/6675/66753-01-3.webp)
Octadecanoic acid, 1,1'-[2-ethyl-2-(hydroxymethyl)-1,3-propanediyl] ester
TL;DR: Octadecanoic acid, 1,1'-[2-ethyl-2-(hydroxymethyl)-1,3-propanediyl] ester (CAS 66753-01-3) is a chemical compound with molecular formula C42H82O5 and molecular weight 666.62 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(hydroxymethyl)-2-(octadecanoyloxymethyl)butyl] octadecanoate
Also Known As: trimethylolpropane distearate, 2-ethyl-2- propane-1,3-diyldistearate, Octadecanoic acid, 2-ethyl-2-(hydroxymethyl)-1,3-propanediyl ester, 2-Ethyl-2-(hydroxymethyl)propane-1,3-diyl distearate, Octadecanoic acid, 1,1'-(2-ethyl-2-(hydroxymethyl)-1,3-propanediyl) ester
| Molecular Formula | C42H82O5 |
|---|---|
| Molecular Weight | 666.62 g/mol |
| LogP | 17.2 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 40 |
| Exact Mass | 666.6162 |
| Heavy Atoms | 47 |
| Complexity | 613.0 |
Chemical Identifiers
| CAS Number | 66753-01-3 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCC(CC)(CO)COC(=O)CCCCCCCCCCCCCCCCC |
| InChIKey | CQDMCVJMVGGZHQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octadecanoic acid, 1,1'-[2-ethyl-2-(hydroxymethyl)-1,3-propanediyl] ester (CAS 66753-01-3), with molecular formula C42H82O5 and molecular weight 666.62 g/mol. IUPAC: [2-(hydroxymethyl)-2-(octadecanoyloxymethyl)butyl] octadecanoate.
Chemical Property Profile of Octadecanoic acid, 1,1'-[2-ethyl-2-(hydroxymethyl)-1,3-propanediyl] ester
Property Insights of Octadecanoic acid, 1,1'-[2-ethyl-2-(hydroxymethyl)-1,3-propanediyl] ester
The XLogP value of 17.2 indicates that Octadecanoic acid, 1,1'-[2-ethyl-2-(hydroxymethyl)-1,3-propanediyl] ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Octadecanoic acid, 1,1'-[2-ethyl-2-(hydroxymethyl)-1,3-propanediyl] ester. Following Lipinski's Rule of Five, Octadecanoic acid, 1,1'-[2-ethyl-2-(hydroxymethyl)-1,3-propanediyl] ester has 1 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'-[2-ethyl-2-(hydroxymethyl)-1,3-propanediyl] ester?
The CAS number of Octadecanoic acid, 1,1'-[2-ethyl-2-(hydroxymethyl)-1,3-propanediyl] ester is 66753-01-3.
What is the molecular formula of Octadecanoic acid, 1,1'-[2-ethyl-2-(hydroxymethyl)-1,3-propanediyl] ester?
The molecular formula of Octadecanoic acid, 1,1'-[2-ethyl-2-(hydroxymethyl)-1,3-propanediyl] ester is C42H82O5.
What is the molecular weight of Octadecanoic acid, 1,1'-[2-ethyl-2-(hydroxymethyl)-1,3-propanediyl] ester?
The molecular weight of Octadecanoic acid, 1,1'-[2-ethyl-2-(hydroxymethyl)-1,3-propanediyl] ester is 666.62 g/mol.
Where can I buy Octadecanoic acid, 1,1'-[2-ethyl-2-(hydroxymethyl)-1,3-propanediyl] ester?
You can request a quote for Octadecanoic acid, 1,1'-[2-ethyl-2-(hydroxymethyl)-1,3-propanediyl] 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'-[2-ethyl-2-(hydroxymethyl)-1,3-propanediyl] ester?
Yes, KEHONG BIO provides custom synthesis services for Octadecanoic acid, 1,1'-[2-ethyl-2-(hydroxymethyl)-1,3-propanediyl] ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.