TL;DR: 6-Chloro-3-(2-(4-chloro-phenyl)-2-oxo-ethyl)-3H-quinazolin-4-one (CAS 161724-98-7) is a chemical compound with molecular formula C16H10Cl2N2O2 and molecular weight 332.01193 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-chloro-3-[2-(4-chlorophenyl)-2-oxoethyl]quinazolin-4-one
Also Known As: 6-chloro-3-[2-(4-chlorophenyl)-2-oxoethyl]quinazolin-4-one, 6-chloro-3-(2-(4-chlorophenyl)-2-oxoethyl)quinazolin-4(3H)-one, 6-CHLORO-3-(2-(4-CHLORO-PHENYL)-2-OXO-ETHYL)-3H-QUINAZOLIN-4-ONE, 6-chloro-3-[2-(4-chlorophenyl)-2-oxoethyl]-3,4-dihydroquinazolin-4-one
| Molecular Formula | C16H10Cl2N2O2 |
| Molecular Weight | 332.01193 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 49.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.01193 Da |
| Heavy Atoms | 22 |
| Complexity | 475.0 |
| SMILES | C1=CC(=CC=C1C(=O)CN2C=NC3=C(C2=O)C=C(C=C3)Cl)Cl |
| InChIKey | HSHOJDDHPDTXOS-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that 6-Chloro-3-(2-(4-chloro-phenyl)-2-oxo-ethyl)-3H-quinazolin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.7 Ų, 6-Chloro-3-(2-(4-chloro-phenyl)-2-oxo-ethyl)-3H-quinazolin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Chloro-3-(2-(4-chloro-phenyl)-2-oxo-ethyl)-3H-quinazolin-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-3-(2-(4-chloro-phenyl)-2-oxo-ethyl)-3H-quinazolin-4-one is 161724-98-7.
The molecular formula of 6-Chloro-3-(2-(4-chloro-phenyl)-2-oxo-ethyl)-3H-quinazolin-4-one is C16H10Cl2N2O2.
The molecular weight of 6-Chloro-3-(2-(4-chloro-phenyl)-2-oxo-ethyl)-3H-quinazolin-4-one is 332.01193 g/mol.
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