N-(5-tert-Butylindan-1-yl)-N'-(1H-indazol-4-yl)urea supplier

Name
N-[(1R)-5-(1,1-Dimethylethyl)-2,3-dihydro-1H-inden-1-yl]-N'-1H-indazol-4-ylurea
EINECS
CAS No. 808756-71-0
Article Data5
CAS DataBase
Density 1.24 g/cm³
Solubility
Melting Point
Formula C₂₁H₂₄N₄O
Boiling Point 529.5 °C at 760 mmHg
Molecular Weight 348.448
Flash Point 274.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-[(1R)-5-tert-Butyl-2,3-dihydro-1H-inden-1-yl]-3-(1H-indazol-4-yl)urea;Urea, N-[(1R)-5-(1,1-dimethylethyl)-2,3-dihydro-1H-inden-1-yl]-N'-1H-indazol-4-yl-;3-[(1R)-5-tert-Butyl-2,3-dihydro-1H-inden-1-yl]-1-(1H-indazol-4-yl)urea;N-[(1R)-5-tert-Butyl-2,3-dihydro-1H-inden-1-yl]-N\'-1H-indazol-4-ylurea;N-[(1R)-5-(1,1-Dimethylethyl)-2,3-dihydro-1H-inden-1-yl]-N'-1H-indazol-4-ylurea;
PSA 69.81000
LogP 5.13330

N-(5-tert-Butylindan-1-yl)-N'-(1H-indazol-4-yl)urea Specification

The ABT-102, with the CAS registry number 808756-71-0, is also known as N-(5-tert-Butylindan-4-yl)-N'-(1H-indazol-4-yl)urea. This chemical's molecular formula is C₂₁H₂₄N₄O and molecular weight is 348.44. What's more, its systematic name is 1-[(1R)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]-3-(1H-indazol-4-yl)urea.

Physical properties of ABT-102 are: (1)ACD/LogP: 4.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.63; (4)ACD/LogD (pH 7.4): 4.63; (5)ACD/BCF (pH 5.5): 1936.76; (6)ACD/BCF (pH 7.4): 1937.01; (7)ACD/KOC (pH 5.5): 7842.7; (8)ACD/KOC (pH 7.4): 7843.73; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 41.37 Å²; (13)Index of Refraction: 1.656; (14)Molar Refractivity: 103.13 cm³; (15)Molar Volume: 280.4 cm³; (16)Polarizability: 40.88×10^-24cm³; (17)Surface Tension: 60.6 dyne/cm; (18)Density: 1.24 g/cm³; (19)Flash Point: 274.1 °C; (20)Enthalpy of Vaporization: 80.46 kJ/mol; (21)Boiling Point: 529.5 °C at 760 mmHg; (22)Vapour Pressure: 2.68E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N[C@H]2c1ccc(cc1CC2)C(C)(C)C)Nc3cccc4c3cnn4
(2)InChI: InChI=1S/C21H24N4O/c1-21(2,3)14-8-9-15-13(11-14)7-10-18(15)24-20(26)23-17-5-4-6-19-16(17)12-22-25-19/h4-6,8-9,11-12,18H,7,10H2,1-3H3,(H,22,25)(H2,23,24,26)/t18-/m1/s1
(3)InChIKey: TYOYXJNGINZFET-GOSISDBHSA-N

Product Name

N-[(1R)-5-(1,1-Dimethylethyl)-2,3-dihydro-1H-inden-1-yl]-N'-1H-indazol-4-ylurea

N-(5-tert-Butylindan-1-yl)-N'-(1H-indazol-4-yl)urea Specification

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