Ethyl 5,5-dimethyl-2,4-dioxohexanoate
TL;DR: Ethyl 5,5-dimethyl-2,4-dioxohexanoate (CAS 13395-36-3) is a chemical compound with molecular formula C10H16O4 and molecular weight 200.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5,5-dimethyl-2,4-dioxohexanoate
Also Known As: Ethyl 5,5-dimethyl-2,4-dioxohexanoate, Ethyl trimethylacetopyruvate, ethyl pivaloylpyruvate, Ethyl trimethyacetopyruvate, pivaloylpyruvic acid ethyl ester
| Molecular Formula | C10H16O4 |
|---|---|
| Molecular Weight | 200.10 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 200.10486 |
| Heavy Atoms | 14 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 13395-36-3 |
|---|---|
| SMILES | CCOC(=O)C(=O)CC(=O)C(C)(C)C |
| InChIKey | NIMKIMUBJFWPTD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 5,5-dimethyl-2,4-dioxohexanoate (CAS 13395-36-3), with molecular formula C10H16O4 and molecular weight 200.10 g/mol. IUPAC: ethyl 5,5-dimethyl-2,4-dioxohexanoate.
Chemical Property Profile of Ethyl 5,5-dimethyl-2,4-dioxohexanoate
Property Insights of Ethyl 5,5-dimethyl-2,4-dioxohexanoate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5,5-dimethyl-2,4-dioxohexanoate. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5,5-dimethyl-2,4-dioxohexanoate. Following Lipinski's Rule of Five, Ethyl 5,5-dimethyl-2,4-dioxohexanoate has 0 hydrogen bond donor(s) and 4 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 Ethyl 5,5-dimethyl-2,4-dioxohexanoate?
The CAS number of Ethyl 5,5-dimethyl-2,4-dioxohexanoate is 13395-36-3.
What is the molecular formula of Ethyl 5,5-dimethyl-2,4-dioxohexanoate?
The molecular formula of Ethyl 5,5-dimethyl-2,4-dioxohexanoate is C10H16O4.
What is the molecular weight of Ethyl 5,5-dimethyl-2,4-dioxohexanoate?
The molecular weight of Ethyl 5,5-dimethyl-2,4-dioxohexanoate is 200.10 g/mol.
Where can I buy Ethyl 5,5-dimethyl-2,4-dioxohexanoate?
You can request a quote for Ethyl 5,5-dimethyl-2,4-dioxohexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5,5-dimethyl-2,4-dioxohexanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5,5-dimethyl-2,4-dioxohexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.