Trimethylolpropane triacetate
TL;DR: Trimethylolpropane triacetate (CAS 10441-87-9) is a chemical compound with molecular formula C12H20O6 and molecular weight 260.12598 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2-bis(acetyloxymethyl)butyl acetate
Also Known As: Trimethylolpropane triacetate, ETTRIOL TRIACETATE, 2,2-bis(acetyloxymethyl)butyl acetate, 2,2-Bis[(acetyloxy)methyl]butyl acetate, AI3-08308
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H20O6 |
| Molecular Weight | 260.12598 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 260.12598 Da |
| Heavy Atoms | 18 |
| Complexity | 264.0 |
| SMILES | CCC(COC(=O)C)(COC(=O)C)COC(=O)C |
| InChIKey | YTKGRNLQFINUJR-UHFFFAOYSA-N |
Chemical Property Profile of Trimethylolpropane triacetate
Property Insights of Trimethylolpropane triacetate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trimethylolpropane triacetate. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Trimethylolpropane triacetate. Following Lipinski's Rule of Five, Trimethylolpropane 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
What is the CAS number of Trimethylolpropane triacetate?
The CAS number of Trimethylolpropane triacetate is 10441-87-9.
What is the molecular formula of Trimethylolpropane triacetate?
The molecular formula of Trimethylolpropane triacetate is C12H20O6.
What is the molecular weight of Trimethylolpropane triacetate?
The molecular weight of Trimethylolpropane triacetate is 260.12598 g/mol.
Where can I buy Trimethylolpropane triacetate?
You can request a quote for Trimethylolpropane triacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Trimethylolpropane triacetate?
Yes, CoreyChem provides custom synthesis services for Trimethylolpropane triacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.