Ethyl 3-methyl-2,4-dioxohexanoate
TL;DR: Ethyl 3-methyl-2,4-dioxohexanoate (CAS 61202-97-9) 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 3-methyl-2,4-dioxohexanoate
Also Known As: Ethyl 3-methyl-2,4-dioxohexanoate, EINECS 262-651-9, Hexanoic acid, 3-methyl-2,4-dioxo-, ethyl ester, 3-Methyl-2,4-dioxohexanoic acid ethyl ester, Hexanoic acid,3-methyl-2,4-dioxo-, ethyl ester
| Molecular Formula | C9H14O4 |
|---|---|
| Molecular Weight | 186.09 g/mol |
| LogP | 0.7338 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 186.0892 |
| Heavy Atoms | 13 |
| Complexity | 219.65459 |
Chemical Identifiers
| CAS Number | 61202-97-9 |
|---|---|
| SMILES | CCC(=O)C(C)C(=O)C(=O)OCC |
Product Overview
Ethyl 3-methyl-2,4-dioxohexanoate (CAS 61202-97-9), with molecular formula C9H14O4 and molecular weight 186.09 g/mol. IUPAC: ethyl 3-methyl-2,4-dioxohexanoate.
Chemical Property Profile of Ethyl 3-methyl-2,4-dioxohexanoate
Property Insights of Ethyl 3-methyl-2,4-dioxohexanoate
The XLogP value of 0.7338 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-methyl-2,4-dioxohexanoate. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-methyl-2,4-dioxohexanoate. Following Lipinski's Rule of Five, Ethyl 3-methyl-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 3-methyl-2,4-dioxohexanoate?
The CAS number of Ethyl 3-methyl-2,4-dioxohexanoate is 61202-97-9.
What is the molecular formula of Ethyl 3-methyl-2,4-dioxohexanoate?
The molecular formula of Ethyl 3-methyl-2,4-dioxohexanoate is C9H14O4.
What is the molecular weight of Ethyl 3-methyl-2,4-dioxohexanoate?
The molecular weight of Ethyl 3-methyl-2,4-dioxohexanoate is 186.09 g/mol.
Where can I buy Ethyl 3-methyl-2,4-dioxohexanoate?
You can request a quote for Ethyl 3-methyl-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 3-methyl-2,4-dioxohexanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-methyl-2,4-dioxohexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.