Pyritinol
TL;DR: Pyritinol (CAS 1098-97-1) is a chemical compound with molecular formula C16H20N2O4S2 and molecular weight 368.08646 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyldisulfanyl]methyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol
Also Known As: Pyrithioxin, PYRITINOL, Pyrithioxine, Encefabol, Piritinol
Application Areas
Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C16H20N2O4S2 |
| Molecular Weight | 368.08646 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 157.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 368.08646 Da |
| Heavy Atoms | 24 |
| Complexity | 346.0 |
| SMILES | CC1=NC=C(C(=C1O)CO)CSSCC2=CN=C(C(=C2CO)O)C |
| InChIKey | SIXLXDIJGIWWFU-UHFFFAOYSA-N |
Chemical Property Profile of Pyritinol
Property Insights of Pyritinol
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyritinol. The TPSA of 157.0 Ų indicates high polarity, suggesting Pyritinol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pyritinol has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Pyritinol?
The CAS number of Pyritinol is 1098-97-1.
What is the molecular formula of Pyritinol?
The molecular formula of Pyritinol is C16H20N2O4S2.
What is the molecular weight of Pyritinol?
The molecular weight of Pyritinol is 368.08646 g/mol.
Where can I buy Pyritinol?
You can request a quote for Pyritinol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pyritinol?
Yes, CoreyChem provides custom synthesis services for Pyritinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.