PP121 supplier | CasNO.1092788-83-4

Name
1-Cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
EINECS
CAS No. 1092788-83-4
Article Data3
CAS DataBase
Density 1.64 g/cm³
Solubility
Melting Point
Formula C₁₇H₁₇N₇
Boiling Point 650.889 °C at 760 mmHg
Molecular Weight 319.36
Flash Point 347.446 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms PP 121;
PSA 98.30000
LogP 3.64810

PP121 Specification

The CAS registry number of 1H-Pyrazolo[3,4-d]pyrimidin-4-amine,1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)- is 1092788-83-4. The systematic name is 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine. In addition, the molecular formula is C₁₇H₁₇N₇ and the molecular weight is 319.36. What's more, it should be stored in a cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: 2.46; (2)ACD/LogD (pH 5.5): 2.446; (3)ACD/LogD (pH 7.4): 2.461; (4)ACD/BCF (pH 5.5): 42.18; (5)ACD/BCF (pH 7.4): 43.721; (6)ACD/KOC (pH 5.5): 501.63; (7)ACD/KOC (pH 7.4): 519.95; (8)#H bond acceptors: 7; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 98.3 Å²; (12)Index of Refraction: 1.881; (13)Molar Refractivity: 89.287 cm³; (14)Molar Volume: 194.79 cm³; (15)Polarizability: 35.396 ×10^-24cm³; (16)Surface Tension: 76.904 dyne/cm; (17)Density: 1.64 g/cm³; (18)Flash Point: 347.446 °C; (19)Enthalpy of Vaporization: 95.926 kJ/mol; (20)Boiling Point: 650.889 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c[nH]c2c1cc(cn2)c3c4c(ncnc4n(n3)C5CCCC5)N
(2)InChI: InChI=1/C17H17N7/c18-15-13-14(11-7-10-5-6-19-16(10)20-8-11)23-24(12-3-1-2-4-12)17(13)22-9-21-15/h5-9,12H,1-4H2,(H,19,20)(H2,18,21,22)
(3)InChIKey: NVRXTLZYXZNATH-UHFFFAOYAJ

Product Name

1-Cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

PP121 Specification

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