Isooctadecanoic acid, 1,1'-(2-ethyl-2-(hydroxymethyl)-1,3-propanediyl) ester
TL;DR: Isooctadecanoic acid, 1,1'-(2-ethyl-2-(hydroxymethyl)-1,3-propanediyl) ester (CAS 68541-49-1) 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-(16-methylheptadecanoyloxymethyl)butyl] 16-methylheptadecanoate
Also Known As: Trimethylolpropane diisostearate, EINECS 271-345-4, 1,1,1-Trimethylolpropane diisostearate, 2-ethyl-2- -1,3-propanediylbis, 2-Ethyl-2-(hydroxymethyl)-1,3-propanediyl bis(isooctadecanoate)
| Molecular Formula | C42H82O5 |
|---|---|
| Molecular Weight | 666.62 g/mol |
| LogP | 12.6963 |
| Topological Polar Surface Area | 72.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 36 |
| Exact Mass | 666.6162 |
| Heavy Atoms | 47 |
| Complexity | 630.5045 |
Chemical Identifiers
| CAS Number | 68541-49-1 |
|---|---|
| SMILES | CCC(CO)(COC(=O)CCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCC(C)C |
Product Overview
Isooctadecanoic acid, 1,1'-(2-ethyl-2-(hydroxymethyl)-1,3-propanediyl) ester (CAS 68541-49-1), with molecular formula C42H82O5 and molecular weight 666.62 g/mol. IUPAC: [2-(hydroxymethyl)-2-(16-methylheptadecanoyloxymethyl)butyl] 16-methylheptadecanoate.
Chemical Property Profile of Isooctadecanoic acid, 1,1'-(2-ethyl-2-(hydroxymethyl)-1,3-propanediyl) ester
Property Insights of Isooctadecanoic acid, 1,1'-(2-ethyl-2-(hydroxymethyl)-1,3-propanediyl) ester
The XLogP value of 12.6963 indicates that Isooctadecanoic 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 72.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Isooctadecanoic acid, 1,1'-(2-ethyl-2-(hydroxymethyl)-1,3-propanediyl) ester. Following Lipinski's Rule of Five, Isooctadecanoic 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 Isooctadecanoic acid, 1,1'-(2-ethyl-2-(hydroxymethyl)-1,3-propanediyl) ester?
The CAS number of Isooctadecanoic acid, 1,1'-(2-ethyl-2-(hydroxymethyl)-1,3-propanediyl) ester is 68541-49-1.
What is the molecular formula of Isooctadecanoic acid, 1,1'-(2-ethyl-2-(hydroxymethyl)-1,3-propanediyl) ester?
The molecular formula of Isooctadecanoic acid, 1,1'-(2-ethyl-2-(hydroxymethyl)-1,3-propanediyl) ester is C42H82O5.
What is the molecular weight of Isooctadecanoic acid, 1,1'-(2-ethyl-2-(hydroxymethyl)-1,3-propanediyl) ester?
The molecular weight of Isooctadecanoic acid, 1,1'-(2-ethyl-2-(hydroxymethyl)-1,3-propanediyl) ester is 666.62 g/mol.
Where can I buy Isooctadecanoic acid, 1,1'-(2-ethyl-2-(hydroxymethyl)-1,3-propanediyl) ester?
You can request a quote for Isooctadecanoic 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 Isooctadecanoic acid, 1,1'-(2-ethyl-2-(hydroxymethyl)-1,3-propanediyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Isooctadecanoic 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.