Tripentaerythritol octaacetate
TL;DR: Tripentaerythritol octaacetate (CAS 68683-33-0) is a chemical compound with molecular formula C31H48O18 and molecular weight 708.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-acetyloxy-2,2-bis[[3-acetyloxy-2,2-bis(acetyloxymethyl)propoxy]methyl]propyl] acetate
Also Known As: Tripentaerythritol octaacetate, Tripentaerythrit-octaacetat, 1,3-propanediol, 2,2-bis[[3-(acetyloxy)-2,2-bis[(acetyloxy)methyl]propoxy]methyl]-, diacetate, 1,3-Propanediol, 2,2-bis((3-(acetyloxy)-2,2-bis((acetyloxy)methyl)propoxy)methyl)-, diacetate, 1,3-Propanediol, 2,2-bis((3-(acetyloxy)-2,2-bis((acetyloxy)methyl)propoxy)methyl)-, 1,3-diacetate
| Molecular Formula | C31H48O18 |
|---|---|
| Molecular Weight | 708.28 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 229.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 32 |
| Exact Mass | 708.28406 |
| Heavy Atoms | 49 |
| Complexity | 966.0 |
Chemical Identifiers
| CAS Number | 68683-33-0 |
|---|---|
| SMILES | CC(=O)OCC(COCC(COC(=O)C)(COC(=O)C)COC(=O)C)(COCC(COC(=O)C)(COC(=O)C)COC(=O)C)COC(=O)C |
| InChIKey | KIHWEJRBZHVCJV-UHFFFAOYSA-N |
Product Overview
Tripentaerythritol octaacetate (CAS 68683-33-0), with molecular formula C31H48O18 and molecular weight 708.28 g/mol. IUPAC: [3-acetyloxy-2,2-bis[[3-acetyloxy-2,2-bis(acetyloxymethyl)propoxy]methyl]propyl] acetate.
Chemical Property Profile of Tripentaerythritol octaacetate
Property Insights of Tripentaerythritol octaacetate
The XLogP value of -0.6 indicates that Tripentaerythritol octaacetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 229.0 Ų indicates high polarity, suggesting Tripentaerythritol octaacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tripentaerythritol octaacetate has 0 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tripentaerythritol octaacetate?
The CAS number of Tripentaerythritol octaacetate is 68683-33-0.
What is the molecular formula of Tripentaerythritol octaacetate?
The molecular formula of Tripentaerythritol octaacetate is C31H48O18.
What is the molecular weight of Tripentaerythritol octaacetate?
The molecular weight of Tripentaerythritol octaacetate is 708.28 g/mol.
Where can I buy Tripentaerythritol octaacetate?
You can request a quote for Tripentaerythritol octaacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tripentaerythritol octaacetate?
Yes, KEHONG BIO provides custom synthesis services for Tripentaerythritol octaacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.