CAS No.1092351-67-1,PP242 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1092351-67-1
Name:	PP242

Formula:	C16H16N6O
Molecular Weight:	308.34
Synonyms:	2-(4-Amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol;2-[4-Amino-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol;
Density:	1.557 g/cm³
Boiling Point:	642.045 °C at 760 mmHg
Flash Point:	342.097 °C
PSA:	105.64000
LogP:	3.42450

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Specification

The PP 242, with the CAS registry number 1092351-67-1, is also known as 2-[4-Amino-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol. This chemical's molecular formula is C₁₆H₁₆N₆O and molecular weight is 308.34. What's more, its systematic name is 2-(4-Amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol.

Physical properties of PP 242 are: (1)ACD/LogP: 1.829; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.70; (4)ACD/LogD (pH 7.4): 1.83; (5)ACD/BCF (pH 5.5): 10.70; (6)ACD/BCF (pH 7.4): 14.33; (7)ACD/KOC (pH 5.5): 174.29; (8)ACD/KOC (pH 7.4): 233.33; (9)#H bond acceptors: 7; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 105.64 Å²; (13)Index of Refraction: 1.799; (14)Molar Refractivity: 84.655 cm³; (15)Molar Volume: 198.069 cm³; (16)Polarizability: 33.56×10^-24cm³; (17)Surface Tension: 65.6949996948242 dyne/cm; (18)Density: 1.557 g/cm³; (19)Flash Point: 342.097 °C; (20)Enthalpy of Vaporization: 98.212 kJ/mol; (21)Boiling Point: 642.045 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)n1c2c(c(n1)c3cc4cc(ccc4[nH]3)O)c(ncn2)N
(2)Std. InChI: InChI=1S/C16H16N6O/c1-8(2)22-16-13(15(17)18-7-19-16)14(21-22)12-6-9-5-10(23)3-4-11(9)20-12/h3-8,20,23H,1-2H3,(H2,17,18,19)
(3)Std. InChIKey: MFAQYJIYDMLAIM-UHFFFAOYSA-N