TL;DR: 3-[2-(4-bromophenyl)-2-oxoethyl]-1-ethyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one (CAS 133188-24-6) is a chemical compound with molecular formula C19H15BrN4O2 and molecular weight 410.03784 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[2-(4-bromophenyl)-2-oxoethyl]-1-ethyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one
Also Known As: 3-[2-(4-bromophenyl)-2-oxoethyl]-1-ethyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one, 3-[2-(4-bromophenyl)-2-oxoethyl]-1-ethyl[1,2,4]triazino[4,3-a]benzimidazol-4(1H)-one, 3-(2-(4-bromophenyl)-2-oxoethyl)-1-ethylbenzo[4,5]imidazo[2,1-c][1,2,4]triazin-4(1H)-one
| Molecular Formula | C19H15BrN4O2 |
| Molecular Weight | 410.03784 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 67.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 410.03784 Da |
| Heavy Atoms | 26 |
| Complexity | 602.0 |
| SMILES | CCN1C2=NC3=CC=CC=C3N2C(=O)C(=N1)CC(=O)C4=CC=C(C=C4)Br |
| InChIKey | YZPSJBIPLZXIFF-UHFFFAOYSA-N |
The XLogP value of 4.3 indicates that 3-[2-(4-bromophenyl)-2-oxoethyl]-1-ethyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[2-(4-bromophenyl)-2-oxoethyl]-1-ethyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one. Following Lipinski's Rule of Five, 3-[2-(4-bromophenyl)-2-oxoethyl]-1-ethyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one 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 3-[2-(4-bromophenyl)-2-oxoethyl]-1-ethyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one is 133188-24-6.
The molecular formula of 3-[2-(4-bromophenyl)-2-oxoethyl]-1-ethyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one is C19H15BrN4O2.
The molecular weight of 3-[2-(4-bromophenyl)-2-oxoethyl]-1-ethyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one is 410.03784 g/mol.
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