Pentaerythrityl diheptanoate
TL;DR: Pentaerythrityl diheptanoate (CAS 67763-19-3) is a chemical compound with molecular formula C19H36O6 and molecular weight 360.2512 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(heptanoyloxymethyl)-3-hydroxy-2-(hydroxymethyl)propyl] heptanoate
Also Known As: Pentaerythritol diheptanoate, Pentaerythrityl diheptanoate, Heptanoic acid, neopentyl glycol diester, 2,2-bis(hydroxymethyl)propane-1,3-diyl diheptanoate, 2,2-Bis(hydroxymethyl)propane-1,3-diyl bisheptanoate
Technical Specifications
| Molecular Formula | C19H36O6 |
| Molecular Weight | 360.2512 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 18 |
| Exact Mass | 360.2512 Da |
| Heavy Atoms | 25 |
| Complexity | 322.0 |
| SMILES | CCCCCCC(=O)OCC(CO)(CO)COC(=O)CCCCCC |
| InChIKey | OMAIADOUFDGXKC-UHFFFAOYSA-N |
Chemical Property Profile of Pentaerythrityl diheptanoate
Property Insights of Pentaerythrityl diheptanoate
The XLogP value of 3.7 indicates that Pentaerythrityl diheptanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Pentaerythrityl diheptanoate. Following Lipinski's Rule of Five, Pentaerythrityl diheptanoate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Pentaerythrityl diheptanoate?
The CAS number of Pentaerythrityl diheptanoate is 67763-19-3.
What is the molecular formula of Pentaerythrityl diheptanoate?
The molecular formula of Pentaerythrityl diheptanoate is C19H36O6.
What is the molecular weight of Pentaerythrityl diheptanoate?
The molecular weight of Pentaerythrityl diheptanoate is 360.2512 g/mol.
Where can I buy Pentaerythrityl diheptanoate?
You can request a quote for Pentaerythrityl diheptanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pentaerythrityl diheptanoate?
Yes, CoreyChem provides custom synthesis services for Pentaerythrityl diheptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.