2-Oxobutanoic Acid
TL;DR: 2-Oxobutanoic Acid (CAS 600-18-0) is a chemical compound with molecular formula C4H6O3 and molecular weight 102.03169 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-oxobutanoic acid
Also Known As: 2-oxobutanoic acid, 2-ketobutyric acid, 2-oxobutyric acid, alpha-ketobutyric acid, Ketobutyrate
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H6O3 |
| Molecular Weight | 102.03169 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 102.03169 Da |
| Heavy Atoms | 7 |
| Complexity | 95.0 |
| Melting Point | 33 |
| Density | 1.200 (d20/4) |
| Solubility | 119 mg/mL |
| SMILES | CCC(=O)C(=O)O |
| InChIKey | TYEYBOSBBBHJIV-UHFFFAOYSA-N |
Product Description
Applications: 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. CoreyChem supplies 2-Oxobutanoic Acid (CAS 600-18-0) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
2-Oxobutanoic Acid is a biotechnology compound identified by CAS number 600-18-0 and the molecular formula C4H6O3 and a molecular weight of 102.03 g/mol. Physically, the compound has a density of 1.200 (d20/4) g/cm³, a solubility: 119 mg/mL. It is also known as 2-oxobutanoic acid and 2-ketobutyric 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 2-Oxobutanoic Acid
Property Insights of 2-Oxobutanoic Acid
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Oxobutanoic Acid. With a topological polar surface area (TPSA) of 54.4 Ų, 2-Oxobutanoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 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 2-Oxobutanoic Acid?
The CAS number of 2-Oxobutanoic Acid is 600-18-0.
What is the molecular formula of 2-Oxobutanoic Acid?
The molecular formula of 2-Oxobutanoic Acid is C4H6O3.
What is the molecular weight of 2-Oxobutanoic Acid?
The molecular weight of 2-Oxobutanoic Acid is 102.03169 g/mol.
What are the applications of 2-Oxobutanoic Acid?
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. CoreyChem supplies 2-Oxobutanoic Acid (CAS 600-18-0) with custom synthesis...
Where can I buy 2-Oxobutanoic Acid?
You can request a quote for 2-Oxobutanoic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Oxobutanoic Acid?
Yes, CoreyChem provides custom synthesis services for 2-Oxobutanoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.