Ethyl 2,4-dioxovalerate
TL;DR: Ethyl 2,4-dioxovalerate (CAS 615-79-2) is a chemical compound with molecular formula C7H10O4 and molecular weight 158.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,4-dioxopentanoate
Also Known As: Ethyl 2,4-dioxopentanoate, Ethyl 2,4-dioxovalerate, Ethyl acetopyruvate, Oxalacetone, Ethyl acetonoxalate
| Molecular Formula | C7H10O4 |
|---|---|
| Molecular Weight | 158.06 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 158.0579 |
| Heavy Atoms | 11 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 615-79-2 |
|---|---|
| SMILES | CCOC(=O)C(=O)CC(=O)C |
| InChIKey | OYQVQWIASIXXRT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2,4-dioxovalerate (CAS 615-79-2), with molecular formula C7H10O4 and molecular weight 158.06 g/mol. IUPAC: ethyl 2,4-dioxopentanoate.
Chemical Property Profile of Ethyl 2,4-dioxovalerate
Property Insights of Ethyl 2,4-dioxovalerate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2,4-dioxovalerate. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2,4-dioxovalerate. Following Lipinski's Rule of Five, Ethyl 2,4-dioxovalerate 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-dioxovalerate?
The CAS number of Ethyl 2,4-dioxovalerate is 615-79-2.
What is the molecular formula of Ethyl 2,4-dioxovalerate?
The molecular formula of Ethyl 2,4-dioxovalerate is C7H10O4.
What is the molecular weight of Ethyl 2,4-dioxovalerate?
The molecular weight of Ethyl 2,4-dioxovalerate is 158.06 g/mol.
Where can I buy Ethyl 2,4-dioxovalerate?
You can request a quote for Ethyl 2,4-dioxovalerate 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-dioxovalerate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2,4-dioxovalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.