Ethyl 2,4-dioxoheptanoate
TL;DR: Ethyl 2,4-dioxoheptanoate (CAS 80540-58-5) is a chemical compound with molecular formula C9H14O4 and molecular weight 186.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,4-dioxoheptanoate
Also Known As: ethyl 2,4-dioxoheptanoate, 2,4-Dioxoheptanoic acid ethyl ester, ethyl 3-butyrylpyruvate, ETHYL2,4-DIOXOHEPTANOATE, Ethyl-2,4-dioxoheptanoate =95%
| Molecular Formula | C9H14O4 |
|---|---|
| Molecular Weight | 186.09 g/mol |
| LogP | 0.8779 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 186.0892 |
| Heavy Atoms | 13 |
| Complexity | 207.66025 |
Chemical Identifiers
| CAS Number | 80540-58-5 |
|---|---|
| SMILES | CCCC(=O)CC(=O)C(=O)OCC |
Product Overview
Ethyl 2,4-dioxoheptanoate (CAS 80540-58-5), with molecular formula C9H14O4 and molecular weight 186.09 g/mol. IUPAC: ethyl 2,4-dioxoheptanoate.
Chemical Property Profile of Ethyl 2,4-dioxoheptanoate
Property Insights of Ethyl 2,4-dioxoheptanoate
The XLogP value of 0.8779 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2,4-dioxoheptanoate. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2,4-dioxoheptanoate. Following Lipinski's Rule of Five, Ethyl 2,4-dioxoheptanoate 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-dioxoheptanoate?
The CAS number of Ethyl 2,4-dioxoheptanoate is 80540-58-5.
What is the molecular formula of Ethyl 2,4-dioxoheptanoate?
The molecular formula of Ethyl 2,4-dioxoheptanoate is C9H14O4.
What is the molecular weight of Ethyl 2,4-dioxoheptanoate?
The molecular weight of Ethyl 2,4-dioxoheptanoate is 186.09 g/mol.
Where can I buy Ethyl 2,4-dioxoheptanoate?
You can request a quote for Ethyl 2,4-dioxoheptanoate 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-dioxoheptanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2,4-dioxoheptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.