Pentaerythrityl triheptanoate
TL;DR: Pentaerythrityl triheptanoate (CAS 56158-58-8) is a chemical compound with molecular formula C26H48O7 and molecular weight 472.34 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2,2-bis(heptanoyloxymethyl)-3-hydroxypropyl] heptanoate
Also Known As: Pentaerythrityl triheptanoate, pentaerythritol triheptanoate, [2,2-bis(heptanoyloxymethyl)-3-hydroxypropyl] heptanoate, 2- -2-[[ oxy]methyl]propane-1,3-diylbisheptanoate, 2-(Hydroxymethyl)-2-(((1-oxoheptyl)oxy)methyl)propane-1,3-diyl bisheptanoate
Technical Specifications
| Molecular Formula | C26H48O7 |
| Molecular Weight | 472.34 g/mol |
| XLogP | 6.7 |
| Topological Polar Surface Area (TPSA) | 99.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 25 |
| Exact Mass | 472.34 Da |
| Heavy Atoms | 33 |
| Complexity | 449.0 |
| SMILES | CCCCCCC(=O)OCC(CO)(COC(=O)CCCCCC)COC(=O)CCCCCC |
| InChIKey | BXKGEHTYSZRXRV-UHFFFAOYSA-N |
Chemical Property Profile of Pentaerythrityl triheptanoate
Property Insights of Pentaerythrityl triheptanoate
The XLogP value of 6.7 indicates that Pentaerythrityl triheptanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Pentaerythrityl triheptanoate. Following Lipinski's Rule of Five, Pentaerythrityl triheptanoate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Pentaerythrityl triheptanoate?
The CAS number of Pentaerythrityl triheptanoate is 56158-58-8.
What is the molecular formula of Pentaerythrityl triheptanoate?
The molecular formula of Pentaerythrityl triheptanoate is C26H48O7.
What is the molecular weight of Pentaerythrityl triheptanoate?
The molecular weight of Pentaerythrityl triheptanoate is 472.34 g/mol.
Where can I buy Pentaerythrityl triheptanoate?
You can request a quote for Pentaerythrityl triheptanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pentaerythrityl triheptanoate?
Yes, CoreyChem provides custom synthesis services for Pentaerythrityl triheptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.