Dipentaerythrityl hexaacetate
TL;DR: Dipentaerythrityl hexaacetate (CAS 67754-23-8) is a chemical compound with molecular formula C22H34O13 and molecular weight 506.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-acetyloxy-2-[[3-acetyloxy-2,2-bis(acetyloxymethyl)propoxy]methyl]-2-(acetyloxymethyl)propyl] acetate
Also Known As: Dipentaerythritol hexacetate, Dipentaerythrityl hexaacetate, Dipentaerythrit-hexaacetat, dipentaerythritol hexaacetate, 1,3-Propanediol, 2,2'-(oxybis(methylene))bis(2-((acetyloxy)methyl)-, 1,1',3,3'-tetraacetate
| Molecular Formula | C22H34O13 |
|---|---|
| Molecular Weight | 506.20 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 167.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 22 |
| Exact Mass | 506.19995 |
| Heavy Atoms | 35 |
| Complexity | 605.0 |
Chemical Identifiers
| CAS Number | 67754-23-8 |
|---|---|
| SMILES | CC(=O)OCC(COCC(COC(=O)C)(COC(=O)C)COC(=O)C)(COC(=O)C)COC(=O)C |
| InChIKey | IQEXPFRBGYDLCW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dipentaerythrityl hexaacetate (CAS 67754-23-8), with molecular formula C22H34O13 and molecular weight 506.20 g/mol. IUPAC: [3-acetyloxy-2-[[3-acetyloxy-2,2-bis(acetyloxymethyl)propoxy]methyl]-2-(acetyloxymethyl)propyl] acetate.
Chemical Property Profile of Dipentaerythrityl hexaacetate
Property Insights of Dipentaerythrityl hexaacetate
The XLogP value of -0.4 indicates that Dipentaerythrityl hexaacetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 167.0 Ų indicates high polarity, suggesting Dipentaerythrityl hexaacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dipentaerythrityl hexaacetate has 0 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dipentaerythrityl hexaacetate?
The CAS number of Dipentaerythrityl hexaacetate is 67754-23-8.
What is the molecular formula of Dipentaerythrityl hexaacetate?
The molecular formula of Dipentaerythrityl hexaacetate is C22H34O13.
What is the molecular weight of Dipentaerythrityl hexaacetate?
The molecular weight of Dipentaerythrityl hexaacetate is 506.20 g/mol.
Where can I buy Dipentaerythrityl hexaacetate?
You can request a quote for Dipentaerythrityl hexaacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dipentaerythrityl hexaacetate?
Yes, KEHONG BIO provides custom synthesis services for Dipentaerythrityl hexaacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.