Pentaerythritol trioleate
TL;DR: Pentaerythritol trioleate (CAS 39874-62-9) is a chemical compound with molecular formula C59H108O7 and molecular weight 928.81 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(hydroxymethyl)-3-octadec-9-enoyloxy-2-(octadec-9-enoyloxymethyl)propyl] octadec-9-enoate
Also Known As: Pentaerythritol trioleate, Pentaerythrityl trioleate, 2-(HYDROXYMETHYL)-2-[(OLEOYLOXY)METHYL]-1,3-PROPANEDIYL DIOLEATE, 2- (hydroxymethyl)- 2- [(oleoyloxy)methyl]- 1, 3- propanediyl dioleate, 9-Octadecenoic acid (9Z)-, 2-(hydroxymethyl)-2-[[[(9Z)-1-oxo-9-octadecenyl]oxy]methyl]-1,3-propanediyl ester
| Molecular Formula | C59H108O7 |
|---|---|
| Molecular Weight | 928.81 g/mol |
| LogP | 21.8 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 55 |
| Exact Mass | 928.8095 |
| Heavy Atoms | 66 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 39874-62-9 |
|---|---|
| SMILES | CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)(COC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC |
| InChIKey | WOMIGYWYSKWGFG-UHFFFAOYSA-N |
Product Overview
Pentaerythritol trioleate (CAS 39874-62-9), with molecular formula C59H108O7 and molecular weight 928.81 g/mol. IUPAC: [2-(hydroxymethyl)-3-octadec-9-enoyloxy-2-(octadec-9-enoyloxymethyl)propyl] octadec-9-enoate.
Chemical Property Profile of Pentaerythritol trioleate
Property Insights of Pentaerythritol trioleate
The XLogP value of 21.8 indicates that Pentaerythritol trioleate 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 Pentaerythritol trioleate. Following Lipinski's Rule of Five, Pentaerythritol trioleate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pentaerythritol trioleate?
The CAS number of Pentaerythritol trioleate is 39874-62-9.
What is the molecular formula of Pentaerythritol trioleate?
The molecular formula of Pentaerythritol trioleate is C59H108O7.
What is the molecular weight of Pentaerythritol trioleate?
The molecular weight of Pentaerythritol trioleate is 928.81 g/mol.
Where can I buy Pentaerythritol trioleate?
You can request a quote for Pentaerythritol trioleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentaerythritol trioleate?
Yes, KEHONG BIO provides custom synthesis services for Pentaerythritol trioleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.