Pentaerythrityl distearate
TL;DR: Pentaerythrityl distearate (CAS 13081-97-5) is a chemical compound with molecular formula C41H80O6 and molecular weight 668.5955 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2,2-bis(hydroxymethyl)-3-octadecanoyloxypropyl] octadecanoate
Also Known As: Pentaerythritol Distearate, Pentaerythrityl distearate, CUTINA PES, DUB DSPE, RADIASURF 7175
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C41H80O6 |
| Molecular Weight | 668.5955 g/mol |
| XLogP | 15.6 |
| Topological Polar Surface Area (TPSA) | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 40 |
| Exact Mass | 668.5955 Da |
| Heavy Atoms | 47 |
| Complexity | 610.0 |
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCC(CO)(CO)COC(=O)CCCCCCCCCCCCCCCCC |
| InChIKey | FSEJJKIPRNUIFL-UHFFFAOYSA-N |
Chemical Property Profile of Pentaerythrityl distearate
Property Insights of Pentaerythrityl distearate
The XLogP value of 15.6 indicates that Pentaerythrityl distearate 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 distearate. Following Lipinski's Rule of Five, Pentaerythrityl distearate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Pentaerythrityl distearate?
The CAS number of Pentaerythrityl distearate is 13081-97-5.
What is the molecular formula of Pentaerythrityl distearate?
The molecular formula of Pentaerythrityl distearate is C41H80O6.
What is the molecular weight of Pentaerythrityl distearate?
The molecular weight of Pentaerythrityl distearate is 668.5955 g/mol.
Where can I buy Pentaerythrityl distearate?
You can request a quote for Pentaerythrityl distearate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pentaerythrityl distearate?
Yes, CoreyChem provides custom synthesis services for Pentaerythrityl distearate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.