3-Formylpyruvic acid
TL;DR: 3-Formylpyruvic acid (CAS 1069-50-7) is a chemical compound with molecular formula C4H4O4 and molecular weight 116.010956 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4-dioxobutanoic acid
Also Known As: Formylpyruvate, 2,4-Dioxobutanoic acid, 3-Formylpyruvic acid, 3-Acylpyruvate, 2,4-DIoxo acid
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H4O4 |
| Molecular Weight | 116.010956 g/mol |
| XLogP | -0.7 |
| Topological Polar Surface Area (TPSA) | 71.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 116.010956 Da |
| Heavy Atoms | 8 |
| Complexity | 126.0 |
| SMILES | C(C=O)C(=O)C(=O)O |
| InChIKey | YEZSWHPLZBZVLH-UHFFFAOYSA-N |
Chemical Property Profile of 3-Formylpyruvic acid
Property Insights of 3-Formylpyruvic acid
The XLogP value of -0.7 indicates that 3-Formylpyruvic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Formylpyruvic acid. Following Lipinski's Rule of Five, 3-Formylpyruvic acid has 1 hydrogen bond donor(s) and 4 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-Formylpyruvic acid?
The CAS number of 3-Formylpyruvic acid is 1069-50-7.
What is the molecular formula of 3-Formylpyruvic acid?
The molecular formula of 3-Formylpyruvic acid is C4H4O4.
What is the molecular weight of 3-Formylpyruvic acid?
The molecular weight of 3-Formylpyruvic acid is 116.010956 g/mol.
Where can I buy 3-Formylpyruvic acid?
You can request a quote for 3-Formylpyruvic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Formylpyruvic acid?
Yes, CoreyChem provides custom synthesis services for 3-Formylpyruvic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.