Boc-(R)-3-Amino-4-(2,4,5-Trifluorophenyl)Butanoic Acid / Sitagliptin Intermediate 486460-00-8

Boc-(R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoic acid is one of key intermediates of Sitagliptin.

Physical properties of  Boc-(R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoic acid:

(1)ACD/LogP: 2.341;

(2)# of Rule of 5 Violations: 0;

(3)ACD/LogD (pH 5.5): 0.98;

(4)ACD/LogD (pH 7.4): -0.78;

(5)ACD/BCF (pH 5.5): 1.55;

(6)ACD/BCF (pH 7.4): 1.00;

(7)ACD/KOC (pH 5.5): 19.59;

(8)ACD/KOC (pH 7.4): 1.00;

(9)#H bond acceptors: 5;

(10)#H bond donors: 2;

(11)#Freely Rotating Bonds: 7;

(12)Index of Refraction: 1.494;

(13)Molar Refractivity: 75.072 cm3;

(14)Molar Volume: 257.776 cm3;

(15)Surface Tension: 40.6020011901855 dyne/cm;

(16)Density: 1.293 g/cm3;

(17)Flash Point: 221.754 °C;

(18)Enthalpy of Vaporization: 73.842 kJ/mol;

(19)Boiling Point: 443.058 °C at 760 mmHg;

(20)Vapour Pressure: 0 mmHg at 25°C.

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