4-Oxobutanoic acid
TL;DR: 4-Oxobutanoic acid (CAS 692-29-5) 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.
4-oxobutanoic acid
Also Known As: Succinic semialdehyde, 4-Oxobutanoic acid, Succinaldehydic acid, Succinic acid semialdehyde, beta-Formylpropionic acid
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H6O3 |
| Molecular Weight | 102.03169 g/mol |
| XLogP | -0.8 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 102.03169 Da |
| Heavy Atoms | 7 |
| Complexity | 77.0 |
| SMILES | C(CC(=O)O)C=O |
| InChIKey | UIUJIQZEACWQSV-UHFFFAOYSA-N |
Product Description
Applications: 4-Oxobutanoic acid is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 4-Oxobutanoic acid (CAS 692-29-5) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A pharmaceutical intermediate supplied by CoreyChem, 4-Oxobutanoic acid (CAS 692-29-5) has the molecular formula C4H6O3 and a molecular weight of 102.03 g/mol. It is also known as Succinic semialdehyde and 4-Oxobutanoic 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-Oxobutanoic acid
Property Insights of 4-Oxobutanoic acid
The XLogP value of -0.8 indicates that 4-Oxobutanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 54.4 Ų, 4-Oxobutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-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 4-Oxobutanoic acid?
The CAS number of 4-Oxobutanoic acid is 692-29-5.
What is the molecular formula of 4-Oxobutanoic acid?
The molecular formula of 4-Oxobutanoic acid is C4H6O3.
What is the molecular weight of 4-Oxobutanoic acid?
The molecular weight of 4-Oxobutanoic acid is 102.03169 g/mol.
What are the applications of 4-Oxobutanoic acid?
4-Oxobutanoic acid is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 4-Oxobutanoic acid (CAS 692-29-5)...
Where can I buy 4-Oxobutanoic acid?
You can request a quote for 4-Oxobutanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Oxobutanoic acid?
Yes, CoreyChem provides custom synthesis services for 4-Oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.