Ethyl 3-methyl-2-oxobutyrate
TL;DR: Ethyl 3-methyl-2-oxobutyrate (CAS 20201-24-5) is a chemical compound with molecular formula C7H12O3 and molecular weight 144.07864 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-methyl-2-oxobutanoate
Also Known As: Ethyl 3-methyl-2-oxobutyrate, Ethyl 3-methyl-2-oxobutanoate, Ethyl dimethylpyruvate, Ketovaline ethyl ester, Butanoic acid, 3-methyl-2-oxo-, ethyl ester
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H12O3 |
| Molecular Weight | 144.07864 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 144.07864 Da |
| Heavy Atoms | 10 |
| Complexity | 138.0 |
| SMILES | CCOC(=O)C(=O)C(C)C |
| InChIKey | CKTYYUQUWFEUCO-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 3-methyl-2-oxobutyrate
Property Insights of Ethyl 3-methyl-2-oxobutyrate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-methyl-2-oxobutyrate. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 3-methyl-2-oxobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-methyl-2-oxobutyrate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl 3-methyl-2-oxobutyrate?
The CAS number of Ethyl 3-methyl-2-oxobutyrate is 20201-24-5.
What is the molecular formula of Ethyl 3-methyl-2-oxobutyrate?
The molecular formula of Ethyl 3-methyl-2-oxobutyrate is C7H12O3.
What is the molecular weight of Ethyl 3-methyl-2-oxobutyrate?
The molecular weight of Ethyl 3-methyl-2-oxobutyrate is 144.07864 g/mol.
Where can I buy Ethyl 3-methyl-2-oxobutyrate?
You can request a quote for Ethyl 3-methyl-2-oxobutyrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 3-methyl-2-oxobutyrate?
Yes, CoreyChem provides custom synthesis services for Ethyl 3-methyl-2-oxobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.