Ethyl 5-acetyl-3-methylisoxazole-4-carboxylate
TL;DR: Ethyl 5-acetyl-3-methylisoxazole-4-carboxylate (CAS 129663-13-4) is a chemical compound with molecular formula C9H11NO4 and molecular weight 197.0688 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 5-acetyl-3-methyl-1,2-oxazole-4-carboxylate
Also Known As: Ethyl 5-acetyl-3-methylisoxazole-4-carboxylate, ethyl 5-acetyl-3-methyl-1,2-oxazole-4-carboxylate, 3541AD, 5-Acetyl-4-(ethoxycarbonyl)-3-methylisoxazole, 4-Isoxazolecarboxylicacid, 5-acetyl-3-methyl-, ethyl ester
Technical Specifications
| Molecular Formula | C9H11NO4 |
| Molecular Weight | 197.0688 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 197.0688 Da |
| Heavy Atoms | 14 |
| Complexity | 241.0 |
| SMILES | CCOC(=O)C1=C(ON=C1C)C(=O)C |
| InChIKey | MPDKUFZYJWTWJE-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 5-acetyl-3-methylisoxazole-4-carboxylate
Property Insights of Ethyl 5-acetyl-3-methylisoxazole-4-carboxylate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-acetyl-3-methylisoxazole-4-carboxylate. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-acetyl-3-methylisoxazole-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-acetyl-3-methylisoxazole-4-carboxylate has 0 hydrogen bond donor(s) and 5 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 5-acetyl-3-methylisoxazole-4-carboxylate?
The CAS number of Ethyl 5-acetyl-3-methylisoxazole-4-carboxylate is 129663-13-4.
What is the molecular formula of Ethyl 5-acetyl-3-methylisoxazole-4-carboxylate?
The molecular formula of Ethyl 5-acetyl-3-methylisoxazole-4-carboxylate is C9H11NO4.
What is the molecular weight of Ethyl 5-acetyl-3-methylisoxazole-4-carboxylate?
The molecular weight of Ethyl 5-acetyl-3-methylisoxazole-4-carboxylate is 197.0688 g/mol.
Where can I buy Ethyl 5-acetyl-3-methylisoxazole-4-carboxylate?
You can request a quote for Ethyl 5-acetyl-3-methylisoxazole-4-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 5-acetyl-3-methylisoxazole-4-carboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 5-acetyl-3-methylisoxazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.