Methyl 5-aminoisoxazole-4-carboxylate
TL;DR: Methyl 5-aminoisoxazole-4-carboxylate (CAS 145798-74-9) is a chemical compound with molecular formula C5H6N2O3 and molecular weight 142.03784 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 5-amino-1,2-oxazole-4-carboxylate
Also Known As: Methyl 5-aminoisoxazole-4-carboxylate, Methyl 5-amino-1,2-oxazole-4-carboxylate, Methyl5-aminoisoxazole-4-carboxylate, Methyl 5-amino-4-isoxaZolecarboxylate, 4-Isoxazolecarboxylic acid, 5-amino-, methyl ester
Technical Specifications
| Molecular Formula | C5H6N2O3 |
| Molecular Weight | 142.03784 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 78.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 142.03784 Da |
| Heavy Atoms | 10 |
| Complexity | 139.0 |
| SMILES | COC(=O)C1=C(ON=C1)N |
| InChIKey | SERNWBIIYUJWQS-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 5-aminoisoxazole-4-carboxylate
Property Insights of Methyl 5-aminoisoxazole-4-carboxylate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-aminoisoxazole-4-carboxylate. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-aminoisoxazole-4-carboxylate. Following Lipinski's Rule of Five, Methyl 5-aminoisoxazole-4-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 Methyl 5-aminoisoxazole-4-carboxylate?
The CAS number of Methyl 5-aminoisoxazole-4-carboxylate is 145798-74-9.
What is the molecular formula of Methyl 5-aminoisoxazole-4-carboxylate?
The molecular formula of Methyl 5-aminoisoxazole-4-carboxylate is C5H6N2O3.
What is the molecular weight of Methyl 5-aminoisoxazole-4-carboxylate?
The molecular weight of Methyl 5-aminoisoxazole-4-carboxylate is 142.03784 g/mol.
Where can I buy Methyl 5-aminoisoxazole-4-carboxylate?
You can request a quote for Methyl 5-aminoisoxazole-4-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 5-aminoisoxazole-4-carboxylate?
Yes, CoreyChem provides custom synthesis services for Methyl 5-aminoisoxazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.