CAS No.602306-29-6,AZD 5438 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	602306-29-6
Name:	AZD 5438

Formula:	C₁₈H₂₁N₅O₂S
Molecular Weight:	371.463
Synonyms:	AZD 5438;4-[2-Methyl-1-isopropyl-1H-imidazol-5-yl]-N-[4-(methylsulfonyl)phenyl]-2-pyrimidinamine;
Density:	1.31 g/cm³
Boiling Point:	655.2 °C at 760 mmHg
Flash Point:	350.1 °C
PSA:	98.15000
LogP:	4.53030

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Specification

The CAS register number of 4-[2-Methyl-1-isopropyl-1H-imidazol-5-yl]-N-[4-(methylsulfonyl)phenyl]-2-pyrimidinamine is 602306-29-6. It also can be called as 2-Pyrimidinamine, 4-(2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl)-N-(4- (methylsulfonyl)phenyl)- and the systematic name about this chemical is 4-(3-isopropyl-2-methyl-imidazol-4-yl)-N-(4-methylsulfonylphenyl)pyrimidin-2-amine. The molecular formula about this chemical is C₁₈H₂₁N₅O₂S and molecular weight is 371.46. It belongs to the API intermediates.

Physical properties about 4-[2-Methyl-1-isopropyl-1H-imidazol-5-yl]-N-[4-(methylsulfonyl)phenyl]-2-pyrimidinamine are: (1)ACD/LogP: 2.13; (2)ACD/LogD (pH 5.5): 2.09; (3)ACD/LogD (pH 7.4): 2.13; (4)ACD/BCF (pH 5.5): 22.48; (5)ACD/BCF (pH 7.4): 24.51; (6)ACD/KOC (pH 5.5): 315.01; (7)ACD/KOC (pH 7.4): 343.54; (8)#H bond acceptors: 7; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 89.36Å²; (12)Index of Refraction: 1.647; (13)Molar Refractivity: 103.03 cm³; (14)Molar Volume: 283.2 cm³; (15)Polarizability: 40.84x10^-24cm³; (16)Surface Tension: 48.9 dyne/cm; (17)Enthalpy of Vaporization: 96.5 kJ/mol; (18)Boiling Point: 655.2 °C at 760 mmHg; (19)Vapour Pressure: 4.79E-17 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ncc(n1C(C)C)c2ccnc(n2)Nc3ccc(cc3)S(=O)(=O)C
(2)InChI: InChI=1/C18H21N5O2S/c1-12(2)23-13(3)20-11-17(23)16-9-10-19-18(22-16)21-14-5-7-15(8-6-14)26(4,24)25/h5-12H,1-4H3,(H,19,21,22)
(3)InChIKey: WJRRGYBTGDJBFX-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C18H21N5O2S/c1-12(2)23-13(3)20-11-17(23)16-9-10-19-18(22-16)21-14-5-7-15(8-6-14)26(4,24)25/h5-12H,1-4H3,(H,19,21,22)
(5)Std. InChIKey: WJRRGYBTGDJBFX-UHFFFAOYSA-N