TL;DR: Ethyl 5-amino-3-{2-[(2,4-dichlorobenzoyl)oxy]ethoxy}-4-isoxazolecarboxylate (CAS 477853-69-3) is a chemical compound with molecular formula C15H14Cl2N2O6 and molecular weight 388.0229 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 5-amino-3-[2-(2,4-dichlorobenzoyl)oxyethoxy]-1,2-oxazole-4-carboxylate
Also Known As: Bionet1_000947, 11E-968, ethyl 5-amino-3-{2-[(2,4-dichlorobenzoyl)oxy]ethoxy}-4-isoxazolecarboxylate, ethyl 5-amino-3-[2-(2,4-dichlorobenzoyl)oxyethoxy]-1,2-oxazole-4-carboxylate, ethyl 5-amino-3-[2-(2,4-dichlorobenzoyloxy)ethoxy]-1,2-oxazole-4-carboxylate
| Molecular Formula | C15H14Cl2N2O6 |
| Molecular Weight | 388.0229 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 114.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 388.0229 Da |
| Heavy Atoms | 25 |
| Complexity | 469.0 |
| SMILES | CCOC(=O)C1=C(ON=C1OCCOC(=O)C2=C(C=C(C=C2)Cl)Cl)N |
| InChIKey | CIQCOVWEIBGZJW-UHFFFAOYSA-N |
The XLogP value of 3.9 indicates that Ethyl 5-amino-3-{2-[(2,4-dichlorobenzoyl)oxy]ethoxy}-4-isoxazolecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-amino-3-{2-[(2,4-dichlorobenzoyl)oxy]ethoxy}-4-isoxazolecarboxylate. Following Lipinski's Rule of Five, Ethyl 5-amino-3-{2-[(2,4-dichlorobenzoyl)oxy]ethoxy}-4-isoxazolecarboxylate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Ethyl 5-amino-3-{2-[(2,4-dichlorobenzoyl)oxy]ethoxy}-4-isoxazolecarboxylate is 477853-69-3.
The molecular formula of Ethyl 5-amino-3-{2-[(2,4-dichlorobenzoyl)oxy]ethoxy}-4-isoxazolecarboxylate is C15H14Cl2N2O6.
The molecular weight of Ethyl 5-amino-3-{2-[(2,4-dichlorobenzoyl)oxy]ethoxy}-4-isoxazolecarboxylate is 388.0229 g/mol.
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