ethyl (2S)-2-ethyl-3-oxobutanoate
TL;DR: ethyl (2S)-2-ethyl-3-oxobutanoate (CAS 130606-81-4) 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 (2S)-2-ethyl-3-oxobutanoate
Also Known As: Ethyl 2-acetylbutyrate, ethyl (2S)-2-ethyl-3-oxobutanoate, Ethyl alpha-acetylbutyrate, (S)-, ethyl (2R)-2-ethyl-3-oxobutanoate, (S)-2-Ethyl-3-oxobutanoic acid ethyl ester
Technical Specifications
| Molecular Formula | C8H14O3 |
| Molecular Weight | 158.0943 g/mol |
| XLogP | 1.3 |
| 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 | 151.0 |
| SMILES | CC[C@@H](C(=O)C)C(=O)OCC |
| InChIKey | OKANYBNORCUPKZ-ZETCQYMHSA-N |
Chemical Property Profile of ethyl (2S)-2-ethyl-3-oxobutanoate
Property Insights of ethyl (2S)-2-ethyl-3-oxobutanoate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (2S)-2-ethyl-3-oxobutanoate. With a topological polar surface area (TPSA) of 43.4 Ų, ethyl (2S)-2-ethyl-3-oxobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl (2S)-2-ethyl-3-oxobutanoate 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 (2S)-2-ethyl-3-oxobutanoate?
The CAS number of ethyl (2S)-2-ethyl-3-oxobutanoate is 130606-81-4.
What is the molecular formula of ethyl (2S)-2-ethyl-3-oxobutanoate?
The molecular formula of ethyl (2S)-2-ethyl-3-oxobutanoate is C8H14O3.
What is the molecular weight of ethyl (2S)-2-ethyl-3-oxobutanoate?
The molecular weight of ethyl (2S)-2-ethyl-3-oxobutanoate is 158.0943 g/mol.
Where can I buy ethyl (2S)-2-ethyl-3-oxobutanoate?
You can request a quote for ethyl (2S)-2-ethyl-3-oxobutanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl (2S)-2-ethyl-3-oxobutanoate?
Yes, CoreyChem provides custom synthesis services for ethyl (2S)-2-ethyl-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.