Ticagrelor CAS NO.274693-27-5

Boiling Point: 777.551 °C at 760 mmHg Ticagrelor is a nucleoside analogue: the cyclopentane ring is similar to the sugar ribose, and the ni…

Boiling Point: 777.551 °C at 760 mmHg

Ticagrelor is a nucleoside analogue: the cyclopentane ring is similar to the sugar ribose, and the nitrogen rich aromatic ring system resembles the nucleobase purine, giving the molecule an overall similarity to adenosine. The substance has low solubility and low permeability under the Biopharmaceutics Classification System. 
 

(1)Water solubility: 6.30e-02 g/l ;

(2)LogP: 2.31 ;

(3)LogP: 2.28 ;

(4)LogS: -3.9 ;

(5)PKa: 14.29 ;

(6)ACD/LogP: 2.016 ;

(7)ACD/LogD (pH 5.5): 2.01 ;

(8)ACD/LogD (pH 7.4): 2.02 ;

(9)ACD/BCF (pH 5.5): 19.97 ;

(10)ACD/BCF (pH 7.4): 20.06 ;

(11)ACD/KOC (pH 5.5): 296.28 ;

(12)ACD/KOC (pH 7.4): 297.49 ;

(13)Hydrogen acceptor count: 9 ;

(14)Hydrogen donor count: 4 ;

(15)Polar surface area: 138.44 ;

(16)Rotatable bond count: 10 ;

(17)Refractivity: 142.13 ;

(18)Polarizability: 51.27 ;

(19)H bond acceptors: 10 ;

(20)H bond donors: 4 ;

(21)Freely Rotating Bonds: 12 ;

(22)Polar Surface Area: 163.74 Å ² ;

(23)Index of Refraction: 1.744 ;

(24)Molar Refractivity: 126.34 cm ³ ;

(25)Molar Volume: 311.872 cm ³ ;

(26)Polarizability: 50.085 10 ^-24 cm ³ ;

(27)Surface Tension: 63.3489990234375 dyne/cm ;

(28)Density: 1.676 g/cm ³ ;

(29)Flash Point: 424.048 °C ;

(30)Enthalpy of Vaporization: 118.7 kJ/mol ;

(31)Boiling Point: 777.551 °C at 760 mmHg.