3-Methyl-2-oxovalerate
TL;DR: 3-Methyl-2-oxovalerate (CAS 66872-74-0) is a chemical compound with molecular formula C6H9O3- and molecular weight 129.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-oxopentanoate
Also Known As: 3-methyl-2-oxopentanoate, 3-Methyl-2-oxovalerate, 2-keto methylvalerate, 2-keto-3-methylvalerate, 2-oxo-3-methylpentanoate
| Molecular Formula | C6H9O3- |
|---|---|
| Molecular Weight | 129.06 g/mol |
| LogP | -0.6485 |
| Topological Polar Surface Area | 57.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 129.05518 |
| Heavy Atoms | 9 |
| Complexity | 128.26466 |
Chemical Identifiers
| CAS Number | 66872-74-0 |
|---|---|
| SMILES | CCC(C)C(=O)C(=O)[O-] |
Product Overview
3-Methyl-2-oxovalerate (CAS 66872-74-0), with molecular formula C6H9O3- and molecular weight 129.06 g/mol. IUPAC: 3-methyl-2-oxopentanoate.
Chemical Property Profile of 3-Methyl-2-oxovalerate
Property Insights of 3-Methyl-2-oxovalerate
The XLogP value of -0.6485 indicates that 3-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, 3-Methyl-2-oxovalerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-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 3-Methyl-2-oxovalerate?
The CAS number of 3-Methyl-2-oxovalerate is 66872-74-0.
What is the molecular formula of 3-Methyl-2-oxovalerate?
The molecular formula of 3-Methyl-2-oxovalerate is C6H9O3-.
What is the molecular weight of 3-Methyl-2-oxovalerate?
The molecular weight of 3-Methyl-2-oxovalerate is 129.06 g/mol.
Where can I buy 3-Methyl-2-oxovalerate?
You can request a quote for 3-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 3-Methyl-2-oxovalerate?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-2-oxovalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.