TL;DR: Probenazole (CAS 27605-76-1) is a chemical compound with molecular formula C10H9NO3S and molecular weight 223.03032 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-prop-2-enoxy-1,2-benzothiazole 1,1-dioxide
Also Known As: Probenazole, Oryzaemate, Oryzemate, 3-(Allyloxy)benzo[d]isothiazole 1,1-dioxide, PROBENAZOLE [MI]
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C10H9NO3S |
| Molecular Weight | 223.03032 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 64.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.03032 Da |
| Heavy Atoms | 15 |
| Complexity | 380.0 |
| SMILES | C=CCOC1=NS(=O)(=O)C2=CC=CC=C21 |
| InChIKey | WHHIPMZEDGBUCC-UHFFFAOYSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Probenazole. The TPSA of 64.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Probenazole. Following Lipinski's Rule of Five, Probenazole has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Probenazole is 27605-76-1.
The molecular formula of Probenazole is C10H9NO3S.
The molecular weight of Probenazole is 223.03032 g/mol.
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