4-Methyl-2-oxovaleric acid
TL;DR: 4-Methyl-2-oxovaleric acid (CAS 816-66-0) is a chemical compound with molecular formula C6H10O3 and molecular weight 130.06299 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methyl-2-oxopentanoic acid
Also Known As: 4-methyl-2-oxopentanoic acid, 4-Methyl-2-oxovaleric acid, Ketoleucine, alpha-Ketoisocaproic acid, 2-Oxoisocaproate
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H10O3 |
| Molecular Weight | 130.06299 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 130.06299 Da |
| Heavy Atoms | 9 |
| Complexity | 126.0 |
| Melting Point | 8 - 10 °C |
| Density | 1.053-1.058 |
| Refractive Index | 1.432-1.442 |
| Solubility | 32 mg/mL |
| SMILES | CC(C)CC(=O)C(=O)O |
| InChIKey | BKAJNAXTPSGJCU-UHFFFAOYSA-N |
Product Description
Applications: 4-Methyl-2-oxovaleric acid is used in pharmaceutical synthesis routes and API production, as well as biotechnology workflows and life-science research. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
4-Methyl-2-oxovaleric acid (CAS 816-66-0) is a pharmaceutical intermediate with the molecular formula C6H10O3 and a molecular weight of 130.06 g/mol. Key physical properties include a density of 1.053-1.058 g/cm³, a solubility: 32 mg/mL. Synonyms include 4-methyl-2-oxopentanoic acid and 4-Methyl-2-oxovaleric acid.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 4-Methyl-2-oxovaleric acid
Property Insights of 4-Methyl-2-oxovaleric acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-2-oxovaleric acid. With a topological polar surface area (TPSA) of 54.4 Ų, 4-Methyl-2-oxovaleric acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-2-oxovaleric 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-Methyl-2-oxovaleric acid?
The CAS number of 4-Methyl-2-oxovaleric acid is 816-66-0.
What is the molecular formula of 4-Methyl-2-oxovaleric acid?
The molecular formula of 4-Methyl-2-oxovaleric acid is C6H10O3.
What is the molecular weight of 4-Methyl-2-oxovaleric acid?
The molecular weight of 4-Methyl-2-oxovaleric acid is 130.06299 g/mol.
What are the applications of 4-Methyl-2-oxovaleric acid?
4-Methyl-2-oxovaleric acid is used in pharmaceutical synthesis routes and API production, as well as biotechnology workflows and life-science research. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis...
Where can I buy 4-Methyl-2-oxovaleric acid?
You can request a quote for 4-Methyl-2-oxovaleric acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Methyl-2-oxovaleric acid?
Yes, CoreyChem provides custom synthesis services for 4-Methyl-2-oxovaleric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.