Sodium 3-methyl-2-oxopentanoate
TL;DR: Sodium 3-methyl-2-oxopentanoate (CAS 1391052-48-4) is a chemical compound with molecular formula C6H9NaO3 and molecular weight 152.04494 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
sodium 3-methyl-2-oxopentanoate
Also Known As: sodium 3-methyl-2-oxopentanoate, Sodium 3-methyl-2-oxovalerate, 3-Methyl-2-oxopentanoic acid sodium salt, sodium;3-methyl-2-oxopentanoate, 3-Methyl-2-oxovaleric Acid Sodium Salt
Technical Specifications
| Molecular Formula | C6H9NaO3 |
| Molecular Weight | 152.04494 g/mol |
| XLogP | -3.6445 |
| Topological Polar Surface Area (TPSA) | 57.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 152.04494 Da |
| Heavy Atoms | 10 |
| Complexity | 133.0 |
| SMILES | CCC(C)C(=O)C(=O)[O-].[Na+] |
| InChIKey | SMDJDLCNOXJGKC-UHFFFAOYSA-M |
Chemical Property Profile of Sodium 3-methyl-2-oxopentanoate
Property Insights of Sodium 3-methyl-2-oxopentanoate
The XLogP value of -3.6445 indicates that Sodium 3-methyl-2-oxopentanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 57.2 Ų, Sodium 3-methyl-2-oxopentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sodium 3-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 Sodium 3-methyl-2-oxopentanoate?
The CAS number of Sodium 3-methyl-2-oxopentanoate is 1391052-48-4.
What is the molecular formula of Sodium 3-methyl-2-oxopentanoate?
The molecular formula of Sodium 3-methyl-2-oxopentanoate is C6H9NaO3.
What is the molecular weight of Sodium 3-methyl-2-oxopentanoate?
The molecular weight of Sodium 3-methyl-2-oxopentanoate is 152.04494 g/mol.
Where can I buy Sodium 3-methyl-2-oxopentanoate?
You can request a quote for Sodium 3-methyl-2-oxopentanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Sodium 3-methyl-2-oxopentanoate?
Yes, CoreyChem provides custom synthesis services for Sodium 3-methyl-2-oxopentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.