Ethyl-2,4-dioxohexanoate
TL;DR: Ethyl-2,4-dioxohexanoate (CAS 13246-52-1) is a chemical compound with molecular formula C8H12O4 and molecular weight 172.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,4-dioxohexanoate
Also Known As: Ethyl 2,4-dioxohexanoate, Ethyl propionyl pyruvate, Hexanoic acid, 2,4-dioxo-, ethyl ester, Ethyl beta-propionylpyruvate, ethyl-2,4-dioxohexanoate
| Molecular Formula | C8H12O4 |
|---|---|
| Molecular Weight | 172.07 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 172.07356 |
| Heavy Atoms | 12 |
| Complexity | 195.0 |
| Boiling Point | 100.00 to 105.00 °C. @ 6.00 mm Hg |
| Density | 1.103-1.109 |
| Refractive Index | 1.477-1.482 |
Chemical Identifiers
| CAS Number | 13246-52-1 |
|---|---|
| SMILES | CCC(=O)CC(=O)C(=O)OCC |
| InChIKey | JGFBKJBAYISHAG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl-2,4-dioxohexanoate (CAS 13246-52-1), with molecular formula C8H12O4 and molecular weight 172.07 g/mol. IUPAC: ethyl 2,4-dioxohexanoate.
Chemical Property Profile of Ethyl-2,4-dioxohexanoate
Property Insights of Ethyl-2,4-dioxohexanoate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl-2,4-dioxohexanoate. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl-2,4-dioxohexanoate. Following Lipinski's Rule of Five, Ethyl-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-2,4-dioxohexanoate?
The CAS number of Ethyl-2,4-dioxohexanoate is 13246-52-1.
What is the molecular formula of Ethyl-2,4-dioxohexanoate?
The molecular formula of Ethyl-2,4-dioxohexanoate is C8H12O4.
What is the molecular weight of Ethyl-2,4-dioxohexanoate?
The molecular weight of Ethyl-2,4-dioxohexanoate is 172.07 g/mol.
Where can I buy Ethyl-2,4-dioxohexanoate?
You can request a quote for Ethyl-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-2,4-dioxohexanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl-2,4-dioxohexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.