Trimethylolethane trilaurate
TL;DR: Trimethylolethane trilaurate (CAS 67873-95-4) is a chemical compound with molecular formula C41H78O6 and molecular weight 666.58 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-dodecanoyloxy-2-(dodecanoyloxymethyl)-2-methylpropyl] dodecanoate
Also Known As: Trimethylolethane trilaurate, Trimethylolethane tridodecanoate, 2-Methyl-2-[[(1-oxododecyl)oxy]methyl]propane-1,3-diyl dilaurate, 2-methyl-2-[[ oxy]methyl]propane-1,3-diyldilaurate, Dodecanoic acid, 2-methyl-2-(((1-oxododecyl)oxy)methyl)-1,3-propanediyl ester
| Molecular Formula | C41H78O6 |
|---|---|
| Molecular Weight | 666.58 g/mol |
| LogP | 16.0 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 39 |
| Exact Mass | 666.57983 |
| Heavy Atoms | 47 |
| Complexity | 628.0 |
Chemical Identifiers
| CAS Number | 67873-95-4 |
|---|---|
| SMILES | CCCCCCCCCCCC(=O)OCC(C)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCC |
| InChIKey | PBHKDCBZJONOSA-UHFFFAOYSA-N |
Product Overview
Trimethylolethane trilaurate (CAS 67873-95-4), with molecular formula C41H78O6 and molecular weight 666.58 g/mol. IUPAC: [3-dodecanoyloxy-2-(dodecanoyloxymethyl)-2-methylpropyl] dodecanoate.
Chemical Property Profile of Trimethylolethane trilaurate
Property Insights of Trimethylolethane trilaurate
The XLogP value of 16.0 indicates that Trimethylolethane trilaurate 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 Trimethylolethane trilaurate. Following Lipinski's Rule of Five, Trimethylolethane trilaurate 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 Trimethylolethane trilaurate?
The CAS number of Trimethylolethane trilaurate is 67873-95-4.
What is the molecular formula of Trimethylolethane trilaurate?
The molecular formula of Trimethylolethane trilaurate is C41H78O6.
What is the molecular weight of Trimethylolethane trilaurate?
The molecular weight of Trimethylolethane trilaurate is 666.58 g/mol.
Where can I buy Trimethylolethane trilaurate?
You can request a quote for Trimethylolethane trilaurate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trimethylolethane trilaurate?
Yes, KEHONG BIO provides custom synthesis services for Trimethylolethane trilaurate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.