![Docosanoic acid, 1,1'-[2,2-bis(hydroxymethyl)-1,3-propanediyl] ester structure](/static/products/6825/68258-72-0.webp)
Docosanoic acid, 1,1'-[2,2-bis(hydroxymethyl)-1,3-propanediyl] ester
TL;DR: Docosanoic acid, 1,1'-[2,2-bis(hydroxymethyl)-1,3-propanediyl] ester (CAS 68258-72-0) is a chemical compound with molecular formula C49H96O6 and molecular weight 780.72 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(docosanoyloxymethyl)-3-hydroxy-2-(hydroxymethyl)propyl] docosanoate
Also Known As: Pentaerythritol dibehenate, Pentaerythritol didocosanoate, 2,2-Bis(hydroxymethyl)propane-1,3-diyl didocosanoate, 2,2-bis propane-1,3-diyldidocosanoate, Docosanoic acid, diester with pentaerythritol
| Molecular Formula | C49H96O6 |
|---|---|
| Molecular Weight | 780.72 g/mol |
| LogP | 19.9 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 48 |
| Exact Mass | 780.7207 |
| Heavy Atoms | 55 |
| Complexity | 721.0 |
Chemical Identifiers
| CAS Number | 68258-72-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CO)(CO)COC(=O)CCCCCCCCCCCCCCCCCCCCC |
| InChIKey | WIWNPEDDOAMGGM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Docosanoic acid, 1,1'-[2,2-bis(hydroxymethyl)-1,3-propanediyl] ester (CAS 68258-72-0), with molecular formula C49H96O6 and molecular weight 780.72 g/mol. IUPAC: [2-(docosanoyloxymethyl)-3-hydroxy-2-(hydroxymethyl)propyl] docosanoate.
Chemical Property Profile of Docosanoic acid, 1,1'-[2,2-bis(hydroxymethyl)-1,3-propanediyl] ester
Property Insights of Docosanoic acid, 1,1'-[2,2-bis(hydroxymethyl)-1,3-propanediyl] ester
The XLogP value of 19.9 indicates that Docosanoic acid, 1,1'-[2,2-bis(hydroxymethyl)-1,3-propanediyl] ester 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 Docosanoic acid, 1,1'-[2,2-bis(hydroxymethyl)-1,3-propanediyl] ester. Following Lipinski's Rule of Five, Docosanoic acid, 1,1'-[2,2-bis(hydroxymethyl)-1,3-propanediyl] ester has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Docosanoic acid, 1,1'-[2,2-bis(hydroxymethyl)-1,3-propanediyl] ester?
The CAS number of Docosanoic acid, 1,1'-[2,2-bis(hydroxymethyl)-1,3-propanediyl] ester is 68258-72-0.
What is the molecular formula of Docosanoic acid, 1,1'-[2,2-bis(hydroxymethyl)-1,3-propanediyl] ester?
The molecular formula of Docosanoic acid, 1,1'-[2,2-bis(hydroxymethyl)-1,3-propanediyl] ester is C49H96O6.
What is the molecular weight of Docosanoic acid, 1,1'-[2,2-bis(hydroxymethyl)-1,3-propanediyl] ester?
The molecular weight of Docosanoic acid, 1,1'-[2,2-bis(hydroxymethyl)-1,3-propanediyl] ester is 780.72 g/mol.
Where can I buy Docosanoic acid, 1,1'-[2,2-bis(hydroxymethyl)-1,3-propanediyl] ester?
You can request a quote for Docosanoic acid, 1,1'-[2,2-bis(hydroxymethyl)-1,3-propanediyl] ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Docosanoic acid, 1,1'-[2,2-bis(hydroxymethyl)-1,3-propanediyl] ester?
Yes, KEHONG BIO provides custom synthesis services for Docosanoic acid, 1,1'-[2,2-bis(hydroxymethyl)-1,3-propanediyl] ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.