CAS No.142273-20-9,KENPAULLONE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	142273-20-9
Name:	KENPAULLONE
Article Data:	8

Formula:	C₁₆H₁₁BrN₂O
Molecular Weight:	327.18
Synonyms:	9-Bromopaullone;NSC 664704;
Density:	1.596 g/cm³
Melting Point:	>300°C (dec.)
Boiling Point:	612.954 °C at 760 mmHg
Flash Point:	324.503 °C
Solubility:	DMSO: 18 mg/mL, clear, yellow
Appearance:	tan solid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	44.89000
LogP:	4.23000

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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