Ethyl 4-oxobutanoate
TL;DR: Ethyl 4-oxobutanoate (CAS 10138-10-0) is a chemical compound with molecular formula C6H10O3 and molecular weight 130.06299 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-oxobutanoate
Also Known As: ethyl 4-oxobutanoate, ethyl 4-oxobutyrate, ethyl 3-formylpropionate, ethyl4-oxobutanoate, 4-Oxobutanoic acid ethyl ester
Application Areas
Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H10O3 |
| Molecular Weight | 130.06299 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 130.06299 Da |
| Heavy Atoms | 9 |
| Complexity | 98.0 |
| SMILES | CCOC(=O)CCC=O |
| InChIKey | QFMPHCGACBODIJ-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 4-oxobutanoate
Property Insights of Ethyl 4-oxobutanoate
The XLogP value of -0.1 indicates that Ethyl 4-oxobutanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 4-oxobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-oxobutanoate has 0 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 Ethyl 4-oxobutanoate?
The CAS number of Ethyl 4-oxobutanoate is 10138-10-0.
What is the molecular formula of Ethyl 4-oxobutanoate?
The molecular formula of Ethyl 4-oxobutanoate is C6H10O3.
What is the molecular weight of Ethyl 4-oxobutanoate?
The molecular weight of Ethyl 4-oxobutanoate is 130.06299 g/mol.
Where can I buy Ethyl 4-oxobutanoate?
You can request a quote for Ethyl 4-oxobutanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 4-oxobutanoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.