TL;DR: 2-(4,6-Dimethoxy-2-pyrimidinyloxy)benzaldoxime (CAS 130845-43-1) is a chemical compound with molecular formula C13H13N3O4 and molecular weight 275.0906 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylidene]hydroxylamine
Also Known As: 2-(4,6-dimethoxy-2-pyrimidinyloxy)benzaldoxime, 2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]benzaldehyde oxime, N-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylidene]hydroxylamine
| Molecular Formula | C13H13N3O4 |
| Molecular Weight | 275.0906 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 86.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 275.0906 Da |
| Heavy Atoms | 20 |
| Complexity | 304.0 |
| SMILES | COC1=CC(=NC(=N1)OC2=CC=CC=C2C=NO)OC |
| InChIKey | LOGUXYNNYUMCAE-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4,6-Dimethoxy-2-pyrimidinyloxy)benzaldoxime. The TPSA of 86.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4,6-Dimethoxy-2-pyrimidinyloxy)benzaldoxime. Following Lipinski's Rule of Five, 2-(4,6-Dimethoxy-2-pyrimidinyloxy)benzaldoxime 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 2-(4,6-Dimethoxy-2-pyrimidinyloxy)benzaldoxime is 130845-43-1.
The molecular formula of 2-(4,6-Dimethoxy-2-pyrimidinyloxy)benzaldoxime is C13H13N3O4.
The molecular weight of 2-(4,6-Dimethoxy-2-pyrimidinyloxy)benzaldoxime is 275.0906 g/mol.
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