Trimethylolpropane tricaprylate
TL;DR: Trimethylolpropane tricaprylate (CAS 4826-87-3) is a chemical compound with molecular formula C30H56O6 and molecular weight 512.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-bis(octanoyloxymethyl)butyl octanoate
Also Known As: Trimethylolpropane trioctanoate, Trimethylolpropane tricaprylate, Trimethylolpropane caprylate, 2,2-bis(octanoyloxymethyl)butyl octanoate, TRIMETHYLOPROPANE TRIOCTANOATE
| Molecular Formula | C30H56O6 |
|---|---|
| Molecular Weight | 512.41 g/mol |
| LogP | 9.9 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 28 |
| Exact Mass | 512.4077 |
| Heavy Atoms | 36 |
| Complexity | 486.0 |
Chemical Identifiers
| CAS Number | 4826-87-3 |
|---|---|
| SMILES | CCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCCC)COC(=O)CCCCCCC |
| InChIKey | HFWHTGSLDKKCMD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Trimethylolpropane tricaprylate (CAS 4826-87-3), with molecular formula C30H56O6 and molecular weight 512.41 g/mol. IUPAC: 2,2-bis(octanoyloxymethyl)butyl octanoate.
Chemical Property Profile of Trimethylolpropane tricaprylate
Property Insights of Trimethylolpropane tricaprylate
The XLogP value of 9.9 indicates that Trimethylolpropane tricaprylate 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 Trimethylolpropane tricaprylate. Following Lipinski's Rule of Five, Trimethylolpropane tricaprylate 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 Trimethylolpropane tricaprylate?
The CAS number of Trimethylolpropane tricaprylate is 4826-87-3.
What is the molecular formula of Trimethylolpropane tricaprylate?
The molecular formula of Trimethylolpropane tricaprylate is C30H56O6.
What is the molecular weight of Trimethylolpropane tricaprylate?
The molecular weight of Trimethylolpropane tricaprylate is 512.41 g/mol.
Where can I buy Trimethylolpropane tricaprylate?
You can request a quote for Trimethylolpropane tricaprylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trimethylolpropane tricaprylate?
Yes, KEHONG BIO provides custom synthesis services for Trimethylolpropane tricaprylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.