TL;DR: Oltipraz (CAS 64224-21-1) is a chemical compound with molecular formula C8H6N2S3 and molecular weight 225.96931 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methyl-5-pyrazin-2-yldithiole-3-thione
Also Known As: Oltipraz, Oltiprazum, Oltipraz [INN], Oltipraz?, 4-methyl-PDT
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C8H6N2S3 |
| Molecular Weight | 225.96931 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 225.96931 Da |
| Heavy Atoms | 13 |
| Complexity | 262.0 |
| SMILES | CC1=C(SSC1=S)C2=NC=CN=C2 |
| InChIKey | CKNAQFVBEHDJQV-UHFFFAOYSA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oltipraz. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Oltipraz. Following Lipinski's Rule of Five, Oltipraz has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Oltipraz is 64224-21-1.
The molecular formula of Oltipraz is C8H6N2S3.
The molecular weight of Oltipraz is 225.96931 g/mol.
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