6-(2,5-Dimethylbenzoyl)-3-hydroxy-2-(3-hydroxy-2-quinolinyl)-1H-inden-1-one supplier

Name
6-(2,5-Dimethylbenzoyl)-3-hydroxy-2-(3-hydroxy-2-quinolinyl)-1H-inden-1-one
EINECS
CAS No. 198625-33-1
Density 1.395 g/cm³
Solubility
Melting Point
Formula C₂₇H₁₉NO₄
Boiling Point 684.4 °C at 760 mmHg
Molecular Weight 421.44
Flash Point 367.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-(2,5-Dimethylbenzoyl)-3-hydroxy-2-(3-hydroxyquinolin-2-yl)-1H-inden-1-one;
PSA 87.23000
LogP 4.23230

6-(2,5-Dimethylbenzoyl)-3-hydroxy-2-(3-hydroxy-2-quinolinyl)-1H-inden-1-one Specification

The CAS register number of 1H-Inden-1-one, 6-(2,5-dimethylbenzoyl)-3-hydroxy-2-(3-hydroxy-2-quinolinyl)- is 198625-33-1. The systematic name is 6-(2,5-dimethylbenzoyl)-3-hydroxy-2-(3-hydroxy-2-quinolyl)inden-1-one. In addition, the molecular formula is C₂₇H₁₉NO₄ and the molecular weight is 421.44. What's more, it should be stored in sealed container, and put in a cool and dry place.

Physical properties about 1H-Inden-1-one, 6-(2,5-dimethylbenzoyl)-3-hydroxy-2-(3-hydroxy-2-quinolinyl)- are: (1)ACD/LogP: 5.93; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.68; (4)ACD/LogD (pH 7.4): 2.27; (5)ACD/BCF (pH 5.5): 10.6; (6)ACD/BCF (pH 7.4): 4.12; (7)ACD/KOC (pH 5.5): 22.49; (8)ACD/KOC (pH 7.4): 8.75; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 87.49 Å²; (13)Index of Refraction: 1.737; (14)Molar Refractivity: 121.44 cm³; (15)Molar Volume: 301.9 cm³; (16)Polarizability: 48.14 ×10^-24cm³; (17)Surface Tension: 71.5 dyne/cm; (18)Density: 1.395 g/cm³; (10)Flash Point: 367.7 °C; (20)Enthalpy of Vaporization: 105.43 kJ/mol; (21)Boiling Point: 684.4 °C at 760 mmHg; (22)Vapour Pressure: 1.13E-19 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccc(c(c1)C(=O)c2ccc3c(c2)C(=O)C(=C3O)c4c(cc5ccccc5n4)O)C
(2)InChI: InChI=1/C27H19NO4/c1-14-7-8-15(2)19(11-14)25(30)17-9-10-18-20(12-17)27(32)23(26(18)31)24-22(29)13-16-5-3-4-6-21(16)28-24/h3-13,29,31H,1-2H3
(3)InChIKey: PGAAWVKSUVQIOT-UHFFFAOYAB

Product Name

6-(2,5-Dimethylbenzoyl)-3-hydroxy-2-(3-hydroxy-2-quinolinyl)-1H-inden-1-one

6-(2,5-Dimethylbenzoyl)-3-hydroxy-2-(3-hydroxy-2-quinolinyl)-1H-inden-1-one Specification

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