Sodium 4-methyl-2-oxovalerate
TL;DR: Sodium 4-methyl-2-oxovalerate (CAS 86362-17-6) is a chemical compound with molecular formula C6H9NaO3 and molecular weight 152.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 4-methyl-2-oxopentanoate
Also Known As: sodium 4-methyl-2-oxopentanoate, Sodium 4-methyl-2-oxovalerate, Sodium ketoisocaproate, Sodium alpha-ketoisocaproate, Ketoleucine sodium
| Molecular Formula | C6H9NaO3 |
|---|---|
| Molecular Weight | 152.04 g/mol |
| LogP | -3.6445 |
| Topological Polar Surface Area | 57.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 152.04494 |
| Heavy Atoms | 10 |
| Complexity | 130.95462 |
Chemical Identifiers
| CAS Number | 86362-17-6 |
|---|---|
| SMILES | CC(C)CC(=O)C(=O)[O-].[Na+] |
Product Overview
Sodium 4-methyl-2-oxovalerate (CAS 86362-17-6), with molecular formula C6H9NaO3 and molecular weight 152.04 g/mol. IUPAC: sodium 4-methyl-2-oxopentanoate.
Chemical Property Profile of Sodium 4-methyl-2-oxovalerate
Property Insights of Sodium 4-methyl-2-oxovalerate
The XLogP value of -3.6445 indicates that Sodium 4-methyl-2-oxovalerate 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 4-methyl-2-oxovalerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sodium 4-methyl-2-oxovalerate 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
Frequently Asked Questions
What is the CAS number of Sodium 4-methyl-2-oxovalerate?
The CAS number of Sodium 4-methyl-2-oxovalerate is 86362-17-6.
What is the molecular formula of Sodium 4-methyl-2-oxovalerate?
The molecular formula of Sodium 4-methyl-2-oxovalerate is C6H9NaO3.
What is the molecular weight of Sodium 4-methyl-2-oxovalerate?
The molecular weight of Sodium 4-methyl-2-oxovalerate is 152.04 g/mol.
Where can I buy Sodium 4-methyl-2-oxovalerate?
You can request a quote for Sodium 4-methyl-2-oxovalerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sodium 4-methyl-2-oxovalerate?
Yes, KEHONG BIO provides custom synthesis services for Sodium 4-methyl-2-oxovalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.