methyl (2S)-2-methyl-3-oxopropanoate
TL;DR: methyl (2S)-2-methyl-3-oxopropanoate (CAS 121843-31-0) is a chemical compound with molecular formula C5H8O3 and molecular weight 116.04734 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2S)-2-methyl-3-oxopropanoate
Also Known As: 2-Formylpropionic acid, methyl ester, methyl ester, (s)-2-methyl-3-oxo-propanoic acid
Technical Specifications
| Molecular Formula | C5H8O3 |
| Molecular Weight | 116.04734 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 116.04734 Da |
| Heavy Atoms | 8 |
| Complexity | 97.0 |
| SMILES | C[C@@H](C=O)C(=O)OC |
| InChIKey | HWYJZXYVLPKDLM-BYPYZUCNSA-N |
Chemical Property Profile of methyl (2S)-2-methyl-3-oxopropanoate
Property Insights of methyl (2S)-2-methyl-3-oxopropanoate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (2S)-2-methyl-3-oxopropanoate. With a topological polar surface area (TPSA) of 43.4 Ų, methyl (2S)-2-methyl-3-oxopropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl (2S)-2-methyl-3-oxopropanoate 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 methyl (2S)-2-methyl-3-oxopropanoate?
The CAS number of methyl (2S)-2-methyl-3-oxopropanoate is 121843-31-0.
What is the molecular formula of methyl (2S)-2-methyl-3-oxopropanoate?
The molecular formula of methyl (2S)-2-methyl-3-oxopropanoate is C5H8O3.
What is the molecular weight of methyl (2S)-2-methyl-3-oxopropanoate?
The molecular weight of methyl (2S)-2-methyl-3-oxopropanoate is 116.04734 g/mol.
Where can I buy methyl (2S)-2-methyl-3-oxopropanoate?
You can request a quote for methyl (2S)-2-methyl-3-oxopropanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl (2S)-2-methyl-3-oxopropanoate?
Yes, CoreyChem provides custom synthesis services for methyl (2S)-2-methyl-3-oxopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.