Trimethylolpropane triheptanoate
TL;DR: Trimethylolpropane triheptanoate (CAS 78-16-0) is a chemical compound with molecular formula C27H50O6 and molecular weight 470.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-bis(heptanoyloxymethyl)butyl heptanoate
Also Known As: Trimethylolpropane triheptanoate, BASESTOCK 704, Trimethylolpropane caprate, REOLUBE LT 2100, Trimethylolpropane trienanthate
| Molecular Formula | C27H50O6 |
|---|---|
| Molecular Weight | 470.36 g/mol |
| LogP | 8.3 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 25 |
| Exact Mass | 470.36075 |
| Heavy Atoms | 33 |
| Complexity | 447.0 |
Chemical Identifiers
| CAS Number | 78-16-0 |
|---|---|
| SMILES | CCCCCCC(=O)OCC(CC)(COC(=O)CCCCCC)COC(=O)CCCCCC |
| InChIKey | UQJDVLPHTXQTRP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Trimethylolpropane triheptanoate (CAS 78-16-0), with molecular formula C27H50O6 and molecular weight 470.36 g/mol. IUPAC: 2,2-bis(heptanoyloxymethyl)butyl heptanoate.
Chemical Property Profile of Trimethylolpropane triheptanoate
Property Insights of Trimethylolpropane triheptanoate
The XLogP value of 8.3 indicates that Trimethylolpropane triheptanoate 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 triheptanoate. Following Lipinski's Rule of Five, Trimethylolpropane triheptanoate 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 triheptanoate?
The CAS number of Trimethylolpropane triheptanoate is 78-16-0.
What is the molecular formula of Trimethylolpropane triheptanoate?
The molecular formula of Trimethylolpropane triheptanoate is C27H50O6.
What is the molecular weight of Trimethylolpropane triheptanoate?
The molecular weight of Trimethylolpropane triheptanoate is 470.36 g/mol.
Where can I buy Trimethylolpropane triheptanoate?
You can request a quote for Trimethylolpropane triheptanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trimethylolpropane triheptanoate?
Yes, KEHONG BIO provides custom synthesis services for Trimethylolpropane triheptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.