TL;DR: 6-chloro-2-(5-chloro-1-methyl-1H-imidazol-2-yl)-4H-chromen-4-one (CAS 163452-57-1) is a chemical compound with molecular formula C13H8Cl2N2O2 and molecular weight 293.99628 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-chloro-2-(5-chloro-1-methylimidazol-2-yl)chromen-4-one
Also Known As: 6-chloro-2-(5-chloro-1-methyl-1H-imidazol-2-yl)-4H-chromen-4-one, 6-chloro-2-(5-chloro-1-methylimidazol-2-yl)chromen-4-one
| Molecular Formula | C13H8Cl2N2O2 |
| Molecular Weight | 293.99628 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 293.99628 Da |
| Heavy Atoms | 19 |
| Complexity | 415.0 |
| SMILES | CN1C(=CN=C1C2=CC(=O)C3=C(O2)C=CC(=C3)Cl)Cl |
| InChIKey | HGOWYWNAWSGFMH-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-chloro-2-(5-chloro-1-methyl-1H-imidazol-2-yl)-4H-chromen-4-one. With a topological polar surface area (TPSA) of 44.1 Ų, 6-chloro-2-(5-chloro-1-methyl-1H-imidazol-2-yl)-4H-chromen-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-chloro-2-(5-chloro-1-methyl-1H-imidazol-2-yl)-4H-chromen-4-one has 0 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 6-chloro-2-(5-chloro-1-methyl-1H-imidazol-2-yl)-4H-chromen-4-one is 163452-57-1.
The molecular formula of 6-chloro-2-(5-chloro-1-methyl-1H-imidazol-2-yl)-4H-chromen-4-one is C13H8Cl2N2O2.
The molecular weight of 6-chloro-2-(5-chloro-1-methyl-1H-imidazol-2-yl)-4H-chromen-4-one is 293.99628 g/mol.
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