Tripentaerythritol hexastearate
TL;DR: Tripentaerythritol hexastearate (CAS 68785-03-5) is a chemical compound with molecular formula C123H236O16 and molecular weight 1969.77 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(hydroxymethyl)-2-[[2-[[2-(hydroxymethyl)-3-octadecanoyloxy-2-(octadecanoyloxymethyl)propoxy]methyl]-3-octadecanoyloxy-2-(octadecanoyloxymethyl)propoxy]methyl]-3-octadecanoyloxypropyl] octadecanoate
Also Known As: Tripentaerythritol hexastearate, Octadecanoic acid, hexaester with 2,2-bis((3-hydroxy-2,2-bis(hydroxymethyl)propoxy)methyl)-1,3-propanediol, [2,2-bis[[2-(hydroxymethyl)-3-octadecanoyloxy-2-(octadecanoyloxymethyl)propoxy]methyl]-3-octadecanoyloxy-propyl] octadecanoate, ({2,2-Bis[(octadecanoyloxy)methyl]propane-1,3-diyl}bis(oxy)-2-(hydroxymethyl)-2-[(octadecanoyloxy)methyl]propane-3,1-diyl) dioctadecanoate, Hexastearic acid, hexaester with 2,2-bis((3-hydroxy-2,2-bis(hydroxymethyl)propoxy)methyl)propane-1,3-diol
| Molecular Formula | C123H236O16 |
|---|---|
| Molecular Weight | 1969.77 g/mol |
| LogP | 48.7 |
| Topological Polar Surface Area | 217.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 124 |
| Exact Mass | 1970.7687 |
| Heavy Atoms | 139 |
| Complexity | 2290.0 |
Chemical Identifiers
| CAS Number | 68785-03-5 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCC(CO)(COCC(COCC(CO)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC |
| InChIKey | VKKILMLMXIQGGE-UHFFFAOYSA-N |
Product Overview
Tripentaerythritol hexastearate (CAS 68785-03-5), with molecular formula C123H236O16 and molecular weight 1969.77 g/mol. IUPAC: [2-(hydroxymethyl)-2-[[2-[[2-(hydroxymethyl)-3-octadecanoyloxy-2-(octadecanoyloxymethyl)propoxy]methyl]-3-octadecanoyloxy-2-(octadecanoyloxymethyl)propoxy]methyl]-3-octadecanoyloxypropyl] octadecanoate.
Chemical Property Profile of Tripentaerythritol hexastearate
Property Insights of Tripentaerythritol hexastearate
The XLogP value of 48.7 indicates that Tripentaerythritol hexastearate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 217.0 Ų indicates high polarity, suggesting Tripentaerythritol hexastearate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tripentaerythritol hexastearate has 2 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tripentaerythritol hexastearate?
The CAS number of Tripentaerythritol hexastearate is 68785-03-5.
What is the molecular formula of Tripentaerythritol hexastearate?
The molecular formula of Tripentaerythritol hexastearate is C123H236O16.
What is the molecular weight of Tripentaerythritol hexastearate?
The molecular weight of Tripentaerythritol hexastearate is 1969.77 g/mol.
Where can I buy Tripentaerythritol hexastearate?
You can request a quote for Tripentaerythritol hexastearate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tripentaerythritol hexastearate?
Yes, KEHONG BIO provides custom synthesis services for Tripentaerythritol hexastearate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.