4-Methylseleno-2-oxobutanoic acid
TL;DR: 4-Methylseleno-2-oxobutanoic acid (CAS 122651-70-1) is a chemical compound with molecular formula C[Se]CCC(=O)C(=O)O and molecular weight 195.96387 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methylselanyl-2-oxobutanoic acid
Also Known As: 4-Mese-met, 4-Methylseleno-2-oxobutanoic acid, 4-methylselanyl-2-oxobutanoic acid, Butanoic acid,4-(methylseleno)-2-oxo-, 4-(methylselanyl)-2-oxobutanoic acid
Technical Specifications
| Molecular Formula | C[Se]CCC(=O)C(=O)O |
| Molecular Weight | 195.96387 g/mol |
| XLogP | 0.2008 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 195.96387 Da |
| Heavy Atoms | 9 |
| Complexity | 121.0 |
| SMILES | C[Se]CCC(=O)C(=O)O |
| InChIKey | XAXSOIXWIMTBOZ-UHFFFAOYSA-N |
Chemical Property Profile of 4-Methylseleno-2-oxobutanoic acid
Property Insights of 4-Methylseleno-2-oxobutanoic acid
The XLogP value of 0.2008 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylseleno-2-oxobutanoic acid. With a topological polar surface area (TPSA) of 54.4 Ų, 4-Methylseleno-2-oxobutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylseleno-2-oxobutanoic acid has 1 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 4-Methylseleno-2-oxobutanoic acid?
The CAS number of 4-Methylseleno-2-oxobutanoic acid is 122651-70-1.
What is the molecular formula of 4-Methylseleno-2-oxobutanoic acid?
The molecular formula of 4-Methylseleno-2-oxobutanoic acid is C[Se]CCC(=O)C(=O)O.
What is the molecular weight of 4-Methylseleno-2-oxobutanoic acid?
The molecular weight of 4-Methylseleno-2-oxobutanoic acid is 195.96387 g/mol.
Where can I buy 4-Methylseleno-2-oxobutanoic acid?
You can request a quote for 4-Methylseleno-2-oxobutanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Methylseleno-2-oxobutanoic acid?
Yes, CoreyChem provides custom synthesis services for 4-Methylseleno-2-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.