Ethyl 4-hydroxyiminopentanoate
TL;DR: Ethyl 4-hydroxyiminopentanoate (CAS 63917-03-3) is a chemical compound with molecular formula C7H13NO3 and molecular weight 159.08954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-hydroxyiminopentanoate
Also Known As: ethyl 4-hydroxyiminopentanoate, Levulinic acid, oxime, ethyl ester, ethyl (4E)-4-hydroxyiminopentanoate
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H13NO3 |
| Molecular Weight | 159.08954 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 58.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 159.08954 Da |
| Heavy Atoms | 11 |
| Complexity | 154.0 |
| SMILES | CCOC(=O)CCC(=NO)C |
| InChIKey | CQHODIYUGCTFHA-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 4-hydroxyiminopentanoate
Property Insights of Ethyl 4-hydroxyiminopentanoate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-hydroxyiminopentanoate. With a topological polar surface area (TPSA) of 58.9 Ų, Ethyl 4-hydroxyiminopentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-hydroxyiminopentanoate 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 Ethyl 4-hydroxyiminopentanoate?
The CAS number of Ethyl 4-hydroxyiminopentanoate is 63917-03-3.
What is the molecular formula of Ethyl 4-hydroxyiminopentanoate?
The molecular formula of Ethyl 4-hydroxyiminopentanoate is C7H13NO3.
What is the molecular weight of Ethyl 4-hydroxyiminopentanoate?
The molecular weight of Ethyl 4-hydroxyiminopentanoate is 159.08954 g/mol.
Where can I buy Ethyl 4-hydroxyiminopentanoate?
You can request a quote for Ethyl 4-hydroxyiminopentanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 4-hydroxyiminopentanoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 4-hydroxyiminopentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.