Trimethylolpropane triacetoacetate
TL;DR: Trimethylolpropane triacetoacetate (CAS 25301-37-5) is a chemical compound with molecular formula C18H26O9 and molecular weight 386.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-bis(3-oxobutanoyloxymethyl)butyl 3-oxobutanoate
Also Known As: Trimethylolpropane triacetoacetate, 2-Ethyl-2-(hydroxymethyl)-1,3-propanediol triacetoacetate, 2,2-bis(3-oxobutanoyloxymethyl)butyl 3-oxobutanoate, BUTANOIC ACID, 3-OXO-, 2-[(1,3-DIOXOBUTOXY)METHYL]-2-ETHYL-1,3-PROPANDIYL ESTER, Acetoacetic acid, 1,1,1-trihydroxy-methylpropane triester
| Molecular Formula | C18H26O9 |
|---|---|
| Molecular Weight | 386.16 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 16 |
| Exact Mass | 386.15768 |
| Heavy Atoms | 27 |
| Complexity | 513.0 |
Chemical Identifiers
| CAS Number | 25301-37-5 |
|---|---|
| SMILES | CCC(COC(=O)CC(=O)C)(COC(=O)CC(=O)C)COC(=O)CC(=O)C |
| InChIKey | VRWWRSQIOZLGAM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Trimethylolpropane triacetoacetate (CAS 25301-37-5), with molecular formula C18H26O9 and molecular weight 386.16 g/mol. IUPAC: 2,2-bis(3-oxobutanoyloxymethyl)butyl 3-oxobutanoate.
Chemical Property Profile of Trimethylolpropane triacetoacetate
Property Insights of Trimethylolpropane triacetoacetate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trimethylolpropane triacetoacetate. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Trimethylolpropane triacetoacetate. Following Lipinski's Rule of Five, Trimethylolpropane triacetoacetate has 0 hydrogen bond donor(s) and 9 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 Trimethylolpropane triacetoacetate?
The CAS number of Trimethylolpropane triacetoacetate is 25301-37-5.
What is the molecular formula of Trimethylolpropane triacetoacetate?
The molecular formula of Trimethylolpropane triacetoacetate is C18H26O9.
What is the molecular weight of Trimethylolpropane triacetoacetate?
The molecular weight of Trimethylolpropane triacetoacetate is 386.16 g/mol.
Where can I buy Trimethylolpropane triacetoacetate?
You can request a quote for Trimethylolpropane triacetoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trimethylolpropane triacetoacetate?
Yes, KEHONG BIO provides custom synthesis services for Trimethylolpropane triacetoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.