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2 Kilogram |
FOB Price:USD 55.0000 -200.0000 |
8-Bromo-7-(2-Butyn-1-Yl)-3,7-Dihydro-3-Methyl-1-[(4-Methyl-2-Quinazolinyl)Methyl]-1H-Purine-2,6-Dione Linagliptin Intermediate 853029-57-9 Linagliptin Intermediate
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8-Bromo-7-(2-butyn-1-yl)-3,7-dihydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-1H-purine-2,6-dione is one of key intermediates of Linagliptin.
Physical properties of 8-Bromo-7-(2-butyn-1-yl)-3,7-dihydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-1H-purine-2,6-dione are: (1)ACD/LogP: 3.96±1.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.96 ; (4)ACD/LogD (pH 7.4): 3.96; (5)ACD/BCF (pH 5.5): 598.76; (6)ACD/BCF (pH 7.4): 599.37; (7)ACD/KOC (pH 5.5): 3384.03; (8)ACD/KOC (pH 7.4): 3387.48; (9)#H bond acceptors: 8; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 84.22 Å2; (13)Index of Refraction: 1.713; (14)Molar Refractivity: 114.3±0.5 cm3; (15)Molar Volume: 291.3±7.0 cm3; (16)Polarizability: 45.3±0.5×10-24cm3; (17)Surface Tension: 57.2±7.0 dyne/cm; (18)Density: 1.6±0.1 g/cm3; (19)Flash Point: 291.8±32.9 °C; (20)Enthalpy of Vaporization: 84.1±3.0 kJ/mol; (21)Boiling Point: 558.8±60.0 °C at 760 mmHg; (22)Vapour Pressure: 0.0±1.5 mmHg at 25 °C.
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