CAS 5784-66-7

3-[3,5-bis(trifluoromethyl)phenyl]-6,8-dichloro-2-methylquinazolin-4(3H)-one

Description:

3-[3,5-bis(trifluoromethyl)phenyl]-6,8-dichloro-2-methylquinazolin-4(3H)-one, with the CAS number 5784-66-7, is a synthetic organic compound belonging to the quinazolinone class. This compound is characterized by its complex structure, which includes a quinazolinone core substituted with dichloro and trifluoromethyl groups. The presence of these halogen substituents significantly influences its chemical properties, including increased lipophilicity and potential biological activity. Quinazolinones are often studied for their pharmacological properties, including anti-cancer and anti-inflammatory activities. The trifluoromethyl groups enhance the compound's metabolic stability and can improve its binding affinity to biological targets. Additionally, the compound's molecular structure suggests potential applications in medicinal chemistry and material science. Its synthesis typically involves multi-step organic reactions, and it may be analyzed using techniques such as NMR spectroscopy, mass spectrometry, and X-ray crystallography to confirm its structure and purity. Overall, this compound represents a significant interest in both research and industrial applications due to its unique chemical characteristics.

Formula: C₁₇H₈Cl₂F₆N₂O

InChI: InChI=1/C17H8Cl2F6N2O/c1-7-26-14-12(5-10(18)6-13(14)19)15(28)27(7)11-3-8(16(20,21)22)2-9(4-11)17(23,24)25/h2-6H,1H3

SMILES: Cc1nc2c(cc(cc2Cl)Cl)c(=O)n1c1cc(cc(c1)C(F)(F)F)C(F)(F)F

Synonyms:

• 4(3H)-quinazolinone, 3-[3,5-bis(trifluoromethyl)phenyl]-6,8-dichloro-2-methyl-

4,4'-[Ethane-1,2-diylbis(oxy)]bis(3-methoxybenzaldehyde)

CAS: 5784-66-7

Versatile small molecule scaffold

Formula: C₁₈H₁₈O₆

Purity: Min. 95%

Molecular weight: 330.3 g/mol

Ref: 3D-FAA78466