TL;DR: Tolonium (CAS 56109-24-1) is a chemical compound with molecular formula C15H16N3S+ and molecular weight 270.1065 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(7-amino-8-methylphenothiazin-3-ylidene)-dimethylazanium
Also Known As: Tolonium, Tolonium cation, Tolonium ion, Blutene, Toluidine Blue
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C15H16N3S+ |
| Molecular Weight | 270.1065 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 66.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 270.1065 Da |
| Heavy Atoms | 19 |
| Complexity | 511.0 |
| SMILES | CC1=CC2=C(C=C1N)SC3=CC(=[N+](C)C)C=CC3=N2 |
| InChIKey | KZEUBCUXBNEMSQ-UHFFFAOYSA-O |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tolonium. The TPSA of 66.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Tolonium. Following Lipinski's Rule of Five, Tolonium has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Tolonium is 56109-24-1.
The molecular formula of Tolonium is C15H16N3S+.
The molecular weight of Tolonium is 270.1065 g/mol.
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