Ethyl 4-methyl-2-oxopentanoate
TL;DR: Ethyl 4-methyl-2-oxopentanoate (CAS 26073-09-6) is a chemical compound with molecular formula C8H14O3 and molecular weight 158.0943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-methyl-2-oxopentanoate
Also Known As: ethyl 4-methyl-2-oxopentanoate, Ethyl 4-methyl-2-oxovalerate, Ethyl4-methyl-2-oxopentanoate, ethyl 4-methyl-2-oxo-pentanoate, Pentanoic acid, 4-methyl-2-oxo-, ethyl ester
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H14O3 |
| Molecular Weight | 158.0943 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 158.0943 Da |
| Heavy Atoms | 11 |
| Complexity | 149.0 |
| SMILES | CCOC(=O)C(=O)CC(C)C |
| InChIKey | MGSWAHQQBHNCEI-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 4-methyl-2-oxopentanoate
Property Insights of Ethyl 4-methyl-2-oxopentanoate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-methyl-2-oxopentanoate. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 4-methyl-2-oxopentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-methyl-2-oxopentanoate 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 4-methyl-2-oxopentanoate?
The CAS number of Ethyl 4-methyl-2-oxopentanoate is 26073-09-6.
What is the molecular formula of Ethyl 4-methyl-2-oxopentanoate?
The molecular formula of Ethyl 4-methyl-2-oxopentanoate is C8H14O3.
What is the molecular weight of Ethyl 4-methyl-2-oxopentanoate?
The molecular weight of Ethyl 4-methyl-2-oxopentanoate is 158.0943 g/mol.
Where can I buy Ethyl 4-methyl-2-oxopentanoate?
You can request a quote for Ethyl 4-methyl-2-oxopentanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 4-methyl-2-oxopentanoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 4-methyl-2-oxopentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.