[6-Hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl][4-(4-isopropyl-1-piperazinyl)phenyl]methanone
[CAS# 849662-80-2]

Identification

• Name: [6-Hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl][4-(4-isopropyl-1-piperazinyl)phenyl]methanone
• Synonyms: [6-Hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-3-yl]-[4-[4-(1-methylethyl)-1-piperazinyl]phenyl]methanone; [6-Hydroxy-2-(4-hydroxy-phenyl)-benzo[b]thiophen-3-yl]-[4-(4-isopropyl-piperazin-1-yl)-phenyl]-methanone; [849662-80-2]
• Molecular Formula: C₂₈H₂₈N₂O₃S
• Molecular Weight: 472.60
• CAS Registry Number: 849662-80-2
• SMILES: CC(C)N1CCN(CC1)C2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O
• InChI: 1S/C28H28N2O3S/c1-18(2)29-13-15-30(16-14-29)21-7-3-19(4-8-21)27(33)26-24-12-11-23(32)17-25(24)34-28(26)20-5-9-22(31)10-6-20/h3-12,17-18,31-32H,13-16H2,1-2H3
• InChIKey: LQEOPHGPHCWOAC-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 722.3±60.0°C at 760 mmHg (Cal.)
• Flash point: 390.6±32.9°C (Cal.)
• Refractive index: 1.673 (Cal.)
• solubility: Soluble to 100 mM in DMSO and to 100 mM in ethanol