TL;DR: Tretazicar (CAS 21919-05-1) is a chemical compound with molecular formula C9H8N4O5 and molecular weight 252.04947 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(aziridin-1-yl)-2,4-dinitrobenzamide
Also Known As: Tretazicar, CB 1954, 5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE, tretazicarum, Prolarix
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C9H8N4O5 |
| Molecular Weight | 252.04947 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 138.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.04947 Da |
| Heavy Atoms | 18 |
| Complexity | 385.0 |
| SMILES | C1CN1C2=C(C=C(C(=C2)C(=O)N)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | WOCXQMCIOTUMJV-UHFFFAOYSA-N |
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tretazicar. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Tretazicar. Following Lipinski's Rule of Five, Tretazicar has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Tretazicar is 21919-05-1.
The molecular formula of Tretazicar is C9H8N4O5.
The molecular weight of Tretazicar is 252.04947 g/mol.
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