2-Oxo-4-pentenoic acid
TL;DR: 2-Oxo-4-pentenoic acid (CAS 20406-62-6) is a chemical compound with molecular formula C5H6O3 and molecular weight 114.03169 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-oxopent-4-enoic acid
Also Known As: 2-oxopent-4-enoic acid, 2-keto-4-pentenoic acid, 2-Oxopentenoic acid, 2-oxo-4-pentenoic acid, 4-Pentenoic acid, 2-oxo-
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H6O3 |
| Molecular Weight | 114.03169 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 114.03169 Da |
| Heavy Atoms | 8 |
| Complexity | 126.0 |
| SMILES | C=CCC(=O)C(=O)O |
| InChIKey | NOXRYJAWRSNUJD-UHFFFAOYSA-N |
Product Description
Applications: 2-Oxo-4-pentenoic acid is used in heterocycle construction in medicinal chemistry and agrochemical discovery, 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 heterocyclic building block supplied by CoreyChem, 2-Oxo-4-pentenoic acid (CAS 20406-62-6) has the molecular formula C5H6O3 and a molecular weight of 114.03 g/mol. Synonyms include 2-oxopent-4-enoic acid and 2-keto-4-pentenoic 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-Oxo-4-pentenoic acid
Property Insights of 2-Oxo-4-pentenoic acid
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Oxo-4-pentenoic acid. With a topological polar surface area (TPSA) of 54.4 Ų, 2-Oxo-4-pentenoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Oxo-4-pentenoic 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-Oxo-4-pentenoic acid?
The CAS number of 2-Oxo-4-pentenoic acid is 20406-62-6.
What is the molecular formula of 2-Oxo-4-pentenoic acid?
The molecular formula of 2-Oxo-4-pentenoic acid is C5H6O3.
What is the molecular weight of 2-Oxo-4-pentenoic acid?
The molecular weight of 2-Oxo-4-pentenoic acid is 114.03169 g/mol.
What are the applications of 2-Oxo-4-pentenoic acid?
2-Oxo-4-pentenoic acid is used in heterocycle construction in medicinal chemistry and agrochemical discovery, 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...
Where can I buy 2-Oxo-4-pentenoic acid?
You can request a quote for 2-Oxo-4-pentenoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Oxo-4-pentenoic acid?
Yes, CoreyChem provides custom synthesis services for 2-Oxo-4-pentenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.