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Kenpaullone

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Name

Kenpaullone

EINECS N/A
CAS No. 142273-20-9 Density 1.596 g/cm3
PSA 44.89000 LogP 4.23000
Solubility DMSO: 18 mg/mL, clear, yellow Melting Point >300°C (dec.)
Formula C16H11BrN2O Boiling Point 612.954 °C at 760 mmHg
Molecular Weight 327.18 Flash Point 324.503 °C
Transport Information N/A Appearance tan solid
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 142273-20-9 (KENPAULLONE) Hazard Symbols IrritantXi
Synonyms

9-Bromopaullone;NSC 664704;

Article Data 8

Kenpaullone Specification

This chemical is called 9-Bromo-7,12-dihydroindolo(3,2-d)(1)benzazepin-6(5H)-one, and its CAS registry number is 142273-20-9. With the molecular formula of C16H11BrN2O, its molecular weight is 327.18. Additionally, its product categories are All Inhibitors; Inhibitors; Protein Kinase. This chemical is a novel class of kinase inhibitors, initially identified as CDK inhibitors.

Other characteristics of the 9-Bromo-7,12-dihydroindolo(3,2-d)(1)benzazepin-6(5H)-one can be summarised as followings: (1)ACD/LogP: 4.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.02; (4)ACD/LogD (pH 7.4): 4.02; (5)ACD/BCF (pH 5.5): 663.42; (6)ACD/BCF (pH 7.4): 663.57; (7)ACD/KOC (pH 5.5): 3642.56; (8)ACD/KOC (pH 7.4): 3643.41; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 25.24 Å2; (13)Index of Refraction: 1.73; (14)Molar Refractivity: 81.85 cm3; (15)Molar Volume: 204.9 cm3; (16)Polarizability: 32.44×10-24cm3; (17)Surface Tension: 62 dyne/cm; (18)Density: 1.596 g/cm3; (19)Flash Point: 324.5 °C; (20)Enthalpy of Vaporization: 90.98 kJ/mol; (21)Boiling Point: 613 °C at 760 mmHg; (22)Vapour Pressure: 5.82E-15 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: Brc4cc1c(nc2c1CC(=O)Nc3ccccc23)cc4
2.InChI: InChI=1/C16H11BrN2O/c17-9-5-6-14-11(7-9)12-8-15(20)18-13-4-2-1-3-10(13)16(12)19-14/h1-7,19H,8H2,(H,18,20)
3.InChIKey: QQUXFYAWXPMDOE-UHFFFAOYAU

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