2-Ethyl-2-(((1-oxodecyl)oxy)methyl)-1,3-propanediyl didecanoate
TL;DR: 2-Ethyl-2-(((1-oxodecyl)oxy)methyl)-1,3-propanediyl didecanoate (CAS 78-17-1) is a chemical compound with molecular formula C36H68O6 and molecular weight 596.50 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-bis(decanoyloxymethyl)butyl decanoate
Also Known As: Trimethylolpropane tricaprate, Trimethylolpropane caprate, Trimethylolpropane tridecanoate, CRODAMOL TMP-CC, 2,2-bis(decanoyloxymethyl)butyl decanoate
| Molecular Formula | C36H68O6 |
|---|---|
| Molecular Weight | 596.50 g/mol |
| LogP | 13.1 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 34 |
| Exact Mass | 596.5016 |
| Heavy Atoms | 42 |
| Complexity | 563.0 |
Chemical Identifiers
| CAS Number | 78-17-1 |
|---|---|
| SMILES | CCCCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCC |
| InChIKey | QQGBDFMKLXCNHD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Ethyl-2-(((1-oxodecyl)oxy)methyl)-1,3-propanediyl didecanoate (CAS 78-17-1), with molecular formula C36H68O6 and molecular weight 596.50 g/mol. IUPAC: 2,2-bis(decanoyloxymethyl)butyl decanoate.
Chemical Property Profile of 2-Ethyl-2-(((1-oxodecyl)oxy)methyl)-1,3-propanediyl didecanoate
Property Insights of 2-Ethyl-2-(((1-oxodecyl)oxy)methyl)-1,3-propanediyl didecanoate
The XLogP value of 13.1 indicates that 2-Ethyl-2-(((1-oxodecyl)oxy)methyl)-1,3-propanediyl didecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Ethyl-2-(((1-oxodecyl)oxy)methyl)-1,3-propanediyl didecanoate. Following Lipinski's Rule of Five, 2-Ethyl-2-(((1-oxodecyl)oxy)methyl)-1,3-propanediyl didecanoate 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 2-Ethyl-2-(((1-oxodecyl)oxy)methyl)-1,3-propanediyl didecanoate?
The CAS number of 2-Ethyl-2-(((1-oxodecyl)oxy)methyl)-1,3-propanediyl didecanoate is 78-17-1.
What is the molecular formula of 2-Ethyl-2-(((1-oxodecyl)oxy)methyl)-1,3-propanediyl didecanoate?
The molecular formula of 2-Ethyl-2-(((1-oxodecyl)oxy)methyl)-1,3-propanediyl didecanoate is C36H68O6.
What is the molecular weight of 2-Ethyl-2-(((1-oxodecyl)oxy)methyl)-1,3-propanediyl didecanoate?
The molecular weight of 2-Ethyl-2-(((1-oxodecyl)oxy)methyl)-1,3-propanediyl didecanoate is 596.50 g/mol.
Where can I buy 2-Ethyl-2-(((1-oxodecyl)oxy)methyl)-1,3-propanediyl didecanoate?
You can request a quote for 2-Ethyl-2-(((1-oxodecyl)oxy)methyl)-1,3-propanediyl didecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethyl-2-(((1-oxodecyl)oxy)methyl)-1,3-propanediyl didecanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethyl-2-(((1-oxodecyl)oxy)methyl)-1,3-propanediyl didecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.