Trimethylolethane triacetate
TL;DR: Trimethylolethane triacetate (CAS 13431-59-9) is a chemical compound with molecular formula C11H18O6 and molecular weight 246.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-acetyloxy-2-(acetyloxymethyl)-2-methylpropyl] acetate
Also Known As: Trimethylolethane triacetate, Trimethylolethan-triacetat, 1,1,1-Tris(acetoxymethyl)ethane, [3-acetyloxy-2-(acetyloxymethyl)-2-methylpropyl] acetate, 1,3-Propanediol, 2-hydroxymethyl-2-methyl-, triacetate
| Molecular Formula | C11H18O6 |
|---|---|
| Molecular Weight | 246.11 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 246.11034 |
| Heavy Atoms | 17 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 13431-59-9 |
|---|---|
| SMILES | CC(=O)OCC(C)(COC(=O)C)COC(=O)C |
| InChIKey | PXZWZRWNBAERBU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Trimethylolethane triacetate (CAS 13431-59-9), with molecular formula C11H18O6 and molecular weight 246.11 g/mol. IUPAC: [3-acetyloxy-2-(acetyloxymethyl)-2-methylpropyl] acetate.
Chemical Property Profile of Trimethylolethane triacetate
Property Insights of Trimethylolethane triacetate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trimethylolethane triacetate. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Trimethylolethane triacetate. Following Lipinski's Rule of Five, Trimethylolethane triacetate has 0 hydrogen bond donor(s) and 6 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 Trimethylolethane triacetate?
The CAS number of Trimethylolethane triacetate is 13431-59-9.
What is the molecular formula of Trimethylolethane triacetate?
The molecular formula of Trimethylolethane triacetate is C11H18O6.
What is the molecular weight of Trimethylolethane triacetate?
The molecular weight of Trimethylolethane triacetate is 246.11 g/mol.
Where can I buy Trimethylolethane triacetate?
You can request a quote for Trimethylolethane triacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trimethylolethane triacetate?
Yes, KEHONG BIO provides custom synthesis services for Trimethylolethane triacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.