TL;DR: Pyriminobac-methyl (CAS 147411-69-6) is a chemical compound with molecular formula C17H19N3O6 and molecular weight 361.12738 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-[(Z)-N-methoxy-C-methylcarbonimidoyl]benzoate
Also Known As: Pyriminobac-methyl, Pyriminobac-methyl, (Z)-, (Z)-Pyriminobac-methyl, Z-Pyriminobac-methyl, Z)-Pyriminobac-methyl
| Molecular Formula | C17H19N3O6 |
| Molecular Weight | 361.12738 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 361.12738 Da |
| Heavy Atoms | 26 |
| Complexity | 477.0 |
| SMILES | C/C(=N/OC)/C1=C(C(=CC=C1)OC2=NC(=CC(=N2)OC)OC)C(=O)OC |
| InChIKey | USSIUIGPBLPCDF-JMIUGGIZSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyriminobac-methyl. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyriminobac-methyl. Following Lipinski's Rule of Five, Pyriminobac-methyl has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Pyriminobac-methyl is 147411-69-6.
The molecular formula of Pyriminobac-methyl is C17H19N3O6.
The molecular weight of Pyriminobac-methyl is 361.12738 g/mol.
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