Nonanoic acid, 1,1'-(2-ethyl-2-(hydroxymethyl)-1,3-propanediyl) ester
TL;DR: Nonanoic acid, 1,1'-(2-ethyl-2-(hydroxymethyl)-1,3-propanediyl) ester (CAS 68541-12-8) is a chemical compound with molecular formula C24H46O5 and molecular weight 414.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(hydroxymethyl)-2-(nonanoyloxymethyl)butyl] nonanoate
Also Known As: Trimethylolpropane dinonanoate, 1,1,1-Trimethylolpropane dipelargonate, Trimethylolpropane dipelargonate, 2-ethyl-2- propane-1,3-diyldinonan-1-oate, 2-Ethyl-2-(hydroxymethyl)propane-1,3-diyl dinonan-1-oate
| Molecular Formula | C24H46O5 |
|---|---|
| Molecular Weight | 414.33 g/mol |
| LogP | 7.4 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 22 |
| Exact Mass | 414.33453 |
| Heavy Atoms | 29 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 68541-12-8 |
|---|---|
| SMILES | CCCCCCCCC(=O)OCC(CC)(CO)COC(=O)CCCCCCCC |
| InChIKey | OSWACFGNXYGNIT-UHFFFAOYSA-N |
Product Overview
Nonanoic acid, 1,1'-(2-ethyl-2-(hydroxymethyl)-1,3-propanediyl) ester (CAS 68541-12-8), with molecular formula C24H46O5 and molecular weight 414.33 g/mol. IUPAC: [2-(hydroxymethyl)-2-(nonanoyloxymethyl)butyl] nonanoate.
Chemical Property Profile of Nonanoic acid, 1,1'-(2-ethyl-2-(hydroxymethyl)-1,3-propanediyl) ester
Property Insights of Nonanoic acid, 1,1'-(2-ethyl-2-(hydroxymethyl)-1,3-propanediyl) ester
The XLogP value of 7.4 indicates that Nonanoic 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 Nonanoic acid, 1,1'-(2-ethyl-2-(hydroxymethyl)-1,3-propanediyl) ester. Following Lipinski's Rule of Five, Nonanoic 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 Nonanoic acid, 1,1'-(2-ethyl-2-(hydroxymethyl)-1,3-propanediyl) ester?
The CAS number of Nonanoic acid, 1,1'-(2-ethyl-2-(hydroxymethyl)-1,3-propanediyl) ester is 68541-12-8.
What is the molecular formula of Nonanoic acid, 1,1'-(2-ethyl-2-(hydroxymethyl)-1,3-propanediyl) ester?
The molecular formula of Nonanoic acid, 1,1'-(2-ethyl-2-(hydroxymethyl)-1,3-propanediyl) ester is C24H46O5.
What is the molecular weight of Nonanoic acid, 1,1'-(2-ethyl-2-(hydroxymethyl)-1,3-propanediyl) ester?
The molecular weight of Nonanoic acid, 1,1'-(2-ethyl-2-(hydroxymethyl)-1,3-propanediyl) ester is 414.33 g/mol.
Where can I buy Nonanoic acid, 1,1'-(2-ethyl-2-(hydroxymethyl)-1,3-propanediyl) ester?
You can request a quote for Nonanoic 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 Nonanoic acid, 1,1'-(2-ethyl-2-(hydroxymethyl)-1,3-propanediyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Nonanoic 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.