TL;DR: Ethyl (alphaZ)-2-amino-alpha-(methoxyimino)-4-thiazoleacetate (CAS 126747-48-6) is a chemical compound with molecular formula C8H11N3O3S and molecular weight 229.05211 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate
Also Known As: Cefotaxime Impurity 4, Ceftiofur oxime ethyl ester, Cefazedone Impurity 20, 3-cyclopropyl-1H-pyrazole, (Z)-Ceftriaxone Impurity 10
| Molecular Formula | C8H11N3O3S |
| Molecular Weight | 229.05211 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 229.05211 Da |
| Heavy Atoms | 15 |
| Complexity | 260.0 |
| SMILES | CCOC(=O)/C(=N\OC)/C1=CSC(=N1)N |
| InChIKey | POBMBNPEUPDXRS-WDZFZDKYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (alphaZ)-2-amino-alpha-(methoxyimino)-4-thiazoleacetate. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl (alphaZ)-2-amino-alpha-(methoxyimino)-4-thiazoleacetate. Following Lipinski's Rule of Five, Ethyl (alphaZ)-2-amino-alpha-(methoxyimino)-4-thiazoleacetate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Ethyl (alphaZ)-2-amino-alpha-(methoxyimino)-4-thiazoleacetate is 126747-48-6.
The molecular formula of Ethyl (alphaZ)-2-amino-alpha-(methoxyimino)-4-thiazoleacetate is C8H11N3O3S.
The molecular weight of Ethyl (alphaZ)-2-amino-alpha-(methoxyimino)-4-thiazoleacetate is 229.05211 g/mol.
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