Pentaerythritol tetraacetate
TL;DR: Pentaerythritol tetraacetate (CAS 597-71-7) is a chemical compound with molecular formula C13H20O8 and molecular weight 304.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-acetyloxy-2,2-bis(acetyloxymethyl)propyl] acetate
Also Known As: Pentaerythritol tetraacetate, Normosterol, Normo-level, PAG [Romanian], Tetraacetyl pentestriol
| Molecular Formula | C13H20O8 |
|---|---|
| Molecular Weight | 304.12 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 304.1158 |
| Heavy Atoms | 21 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 597-71-7 |
|---|---|
| SMILES | CC(=O)OCC(COC(=O)C)(COC(=O)C)COC(=O)C |
| InChIKey | OUHCZCFQVONTOC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentaerythritol tetraacetate (CAS 597-71-7), with molecular formula C13H20O8 and molecular weight 304.12 g/mol. IUPAC: [3-acetyloxy-2,2-bis(acetyloxymethyl)propyl] acetate.
Chemical Property Profile of Pentaerythritol tetraacetate
Property Insights of Pentaerythritol tetraacetate
The XLogP value of -0.1 indicates that Pentaerythritol tetraacetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pentaerythritol tetraacetate. Following Lipinski's Rule of Five, Pentaerythritol tetraacetate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pentaerythritol tetraacetate?
The CAS number of Pentaerythritol tetraacetate is 597-71-7.
What is the molecular formula of Pentaerythritol tetraacetate?
The molecular formula of Pentaerythritol tetraacetate is C13H20O8.
What is the molecular weight of Pentaerythritol tetraacetate?
The molecular weight of Pentaerythritol tetraacetate is 304.12 g/mol.
Where can I buy Pentaerythritol tetraacetate?
You can request a quote for Pentaerythritol tetraacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentaerythritol tetraacetate?
Yes, KEHONG BIO provides custom synthesis services for Pentaerythritol tetraacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.