Trimethylolpropane triisooctanoate
TL;DR: Trimethylolpropane triisooctanoate (CAS 70969-64-1) is a chemical compound with molecular formula C22H42O4 and molecular weight 370.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methyl-2-(6-methylheptanoyloxymethyl)butyl] octanoate
Also Known As: Trimethylolpropane triisooctanoate, Trimethylolpropane, triisooctanoate, Isooctanoic acid, 2-ethyl-2-(((1-oxoisooctyl)oxy)methyl)-1,3-propanediyl ester, Isooctanoic acid, 1,1'-(2-ethyl-2-(((1-oxoisooctyl)oxy)methyl)-1,3-propanediyl) ester, [2-methyl-2-(6-methylheptanoyloxymethyl)butyl] octanoate
| Molecular Formula | C22H42O4 |
|---|---|
| Molecular Weight | 370.31 g/mol |
| LogP | 6.066 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 16 |
| Exact Mass | 370.30832 |
| Heavy Atoms | 26 |
| Complexity | 378.33853 |
Chemical Identifiers
| CAS Number | 70969-64-1 |
|---|---|
| SMILES | CCCCCCCC(=O)OCC(C)(CC)COC(=O)CCCCC(C)C |
Product Overview
Trimethylolpropane triisooctanoate (CAS 70969-64-1), with molecular formula C22H42O4 and molecular weight 370.31 g/mol. IUPAC: [2-methyl-2-(6-methylheptanoyloxymethyl)butyl] octanoate.
Chemical Property Profile of Trimethylolpropane triisooctanoate
Property Insights of Trimethylolpropane triisooctanoate
The XLogP value of 6.066 indicates that Trimethylolpropane triisooctanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Trimethylolpropane triisooctanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trimethylolpropane triisooctanoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Trimethylolpropane triisooctanoate?
The CAS number of Trimethylolpropane triisooctanoate is 70969-64-1.
What is the molecular formula of Trimethylolpropane triisooctanoate?
The molecular formula of Trimethylolpropane triisooctanoate is C22H42O4.
What is the molecular weight of Trimethylolpropane triisooctanoate?
The molecular weight of Trimethylolpropane triisooctanoate is 370.31 g/mol.
Where can I buy Trimethylolpropane triisooctanoate?
You can request a quote for Trimethylolpropane triisooctanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trimethylolpropane triisooctanoate?
Yes, KEHONG BIO provides custom synthesis services for Trimethylolpropane triisooctanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.