TL;DR: Trazium (CAS 97110-31-1) is a chemical compound with molecular formula C17H13ClN3O+ and molecular weight 310.0747 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-chlorophenyl)-4H-[1,2,4]triazino[6,1-a]isoquinolin-5-ium-1-ol
Also Known As: Trazium, Trazium cation, Trazium ion, Trazii esilas, Trazium Esilate
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C17H13ClN3O+ |
| Molecular Weight | 310.0747 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 48.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 310.0747 Da |
| Heavy Atoms | 22 |
| Complexity | 438.0 |
| SMILES | C1=CC=C2C(=C1)C=C[N+]3=C2C(N=CN3)(C4=CC=C(C=C4)Cl)O |
| InChIKey | BHGKFSWHUYVRRH-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that Trazium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.5 Ų, Trazium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trazium has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Trazium is 97110-31-1.
The molecular formula of Trazium is C17H13ClN3O+.
The molecular weight of Trazium is 310.0747 g/mol.
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