TL;DR: Pyrazosulfuron-ethyl (CAS 93697-74-6) is a chemical compound with molecular formula C14H18N6O7S and molecular weight 414.09576 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate
Also Known As: Pyrazosulfuron-ethyl, Sirius, Agreen, Pyrazosulfuron ethyl, agreen(r)
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C14H18N6O7S |
| Molecular Weight | 414.09576 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 172.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 414.09576 Da |
| Heavy Atoms | 28 |
| Complexity | 645.0 |
| SMILES | CCOC(=O)C1=C(N(N=C1)C)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC |
| InChIKey | BGNQYGRXEXDAIQ-UHFFFAOYSA-N |
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrazosulfuron-ethyl. The TPSA of 172.0 Ų indicates high polarity, suggesting Pyrazosulfuron-ethyl may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pyrazosulfuron-ethyl has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Pyrazosulfuron-ethyl is 93697-74-6.
The molecular formula of Pyrazosulfuron-ethyl is C14H18N6O7S.
The molecular weight of Pyrazosulfuron-ethyl is 414.09576 g/mol.
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