3-Methyl-2-oxobutanoic acid
TL;DR: 3-Methyl-2-oxobutanoic acid (CAS 759-05-7) is a chemical compound with molecular formula C5H8O3 and molecular weight 116.04734 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methyl-2-oxobutanoic acid
Also Known As: 3-Methyl-2-oxobutanoic acid, 3-methyl-2-oxo-butanoic acid, 2-Ketoisovaleric acid, alpha-ketovaline, 2-ketovaline
Application Areas
Top 5 of 16 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H8O3 |
| Molecular Weight | 116.04734 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 116.04734 Da |
| Heavy Atoms | 8 |
| Complexity | 115.0 |
| Melting Point | 31.5 |
| Boiling Point | 170.5 |
| Density | 1.115-1.120 |
| Refractive Index | 1.436-1.446 |
| Solubility | Soluble in water |
| SMILES | CC(C)C(=O)C(=O)O |
| InChIKey | QHKABHOOEWYVLI-UHFFFAOYSA-N |
Product Description
Applications: 3-Methyl-2-oxobutanoic acid is used in biotechnology workflows and life-science research, as well as pharmaceutical synthesis routes and API production. 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).
A biotechnology compound supplied by CoreyChem, 3-Methyl-2-oxobutanoic acid (CAS 759-05-7) has the molecular formula C5H8O3 and a molecular weight of 116.05 g/mol. Reported properties include a density of 1.115-1.120 g/cm³, a solubility: Soluble in water. Synonyms include 3-Methyl-2-oxobutanoic acid and 3-methyl-2-oxo-butanoic 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 3-Methyl-2-oxobutanoic acid
Property Insights of 3-Methyl-2-oxobutanoic acid
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-2-oxobutanoic acid. With a topological polar surface area (TPSA) of 54.4 Ų, 3-Methyl-2-oxobutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-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 3-Methyl-2-oxobutanoic acid?
The CAS number of 3-Methyl-2-oxobutanoic acid is 759-05-7.
What is the molecular formula of 3-Methyl-2-oxobutanoic acid?
The molecular formula of 3-Methyl-2-oxobutanoic acid is C5H8O3.
What is the molecular weight of 3-Methyl-2-oxobutanoic acid?
The molecular weight of 3-Methyl-2-oxobutanoic acid is 116.04734 g/mol.
What are the applications of 3-Methyl-2-oxobutanoic acid?
3-Methyl-2-oxobutanoic acid is used in biotechnology workflows and life-science research, as well as pharmaceutical synthesis routes and API production. 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 3-Methyl-2-oxobutanoic acid?
You can request a quote for 3-Methyl-2-oxobutanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Methyl-2-oxobutanoic acid?
Yes, CoreyChem provides custom synthesis services for 3-Methyl-2-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.