Ethyl 4-methyl-5-oxo-2,5-dihydroisoxazole-3-carboxylate
TL;DR: Ethyl 4-methyl-5-oxo-2,5-dihydroisoxazole-3-carboxylate (CAS 1263211-90-0) is a chemical compound with molecular formula C7H9NO4 and molecular weight 171.05316 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-methyl-5-oxo-2H-1,2-oxazole-3-carboxylate
Also Known As: ethyl 4-methyl-5-oxo-2,5-dihydroisoxazole-3-carboxylate, Ethyl 4-methyl-5-oxo-2,5-dihydro-1,2-oxazole-3-carboxylate, ethyl 4-methyl-5-oxo-2H-1,2-oxazole-3-carboxylate, Ethyl5-hydroxy-4-methylisoxazole-3-carboxylate, Ethyl 5-hydroxy-4-methylisoxazole-3-carboxylate
Technical Specifications
| Molecular Formula | C7H9NO4 |
| Molecular Weight | 171.05316 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 171.05316 Da |
| Heavy Atoms | 12 |
| Complexity | 256.0 |
| SMILES | CCOC(=O)C1=C(C(=O)ON1)C |
| InChIKey | NQHGATLLVCDBQN-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 4-methyl-5-oxo-2,5-dihydroisoxazole-3-carboxylate
Property Insights of Ethyl 4-methyl-5-oxo-2,5-dihydroisoxazole-3-carboxylate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-methyl-5-oxo-2,5-dihydroisoxazole-3-carboxylate. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-methyl-5-oxo-2,5-dihydroisoxazole-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-methyl-5-oxo-2,5-dihydroisoxazole-3-carboxylate has 1 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 4-methyl-5-oxo-2,5-dihydroisoxazole-3-carboxylate?
The CAS number of Ethyl 4-methyl-5-oxo-2,5-dihydroisoxazole-3-carboxylate is 1263211-90-0.
What is the molecular formula of Ethyl 4-methyl-5-oxo-2,5-dihydroisoxazole-3-carboxylate?
The molecular formula of Ethyl 4-methyl-5-oxo-2,5-dihydroisoxazole-3-carboxylate is C7H9NO4.
What is the molecular weight of Ethyl 4-methyl-5-oxo-2,5-dihydroisoxazole-3-carboxylate?
The molecular weight of Ethyl 4-methyl-5-oxo-2,5-dihydroisoxazole-3-carboxylate is 171.05316 g/mol.
Where can I buy Ethyl 4-methyl-5-oxo-2,5-dihydroisoxazole-3-carboxylate?
You can request a quote for Ethyl 4-methyl-5-oxo-2,5-dihydroisoxazole-3-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 4-methyl-5-oxo-2,5-dihydroisoxazole-3-carboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 4-methyl-5-oxo-2,5-dihydroisoxazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.