Pd-04217903 supplier | CasNO.956905-27-4

Name
PD04217903
EINECS
CAS No. 956905-27-4
Density 1.53 g/cm³
Solubility
Melting Point
Formula C₁₉H₁₆N₈O
Boiling Point 718.1 °C at 760 mmHg
Molecular Weight 372.3833
Flash Point 388.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms PF-04217903;
PSA 107.43000
LogP 1.67360

Pd-04217903 Specification

The Pd-04217903, with its CAS registry number 956905-27-4, has the systematic name of 2-[4-[1-(6-quinolylmethyl)triazolo[4,5-b]pyrazin-6-yl]pyrazol-1-yl]ethanol. And it has the molecular formula of C₁₉H₁₆N₈O.

The characteristics of Pd-04217903 are as follows: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 9; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 6; (5)Polar Surface Area: 107.43 Å²; (6)Index of Refraction: 1.806; (7)Molar Refractivity: 104.45 cm³; (8)Molar Volume: 242.8 cm³; (9)Polarizability: 41.4×10^-24cm³; (10)Surface Tension: 71.5 dyne/cm; (11)Density: 1.53 g/cm³; (12)Flash Point: 388.1 °C; (13)Enthalpy of Vaporization: 110.16 kJ/mol; (14)Boiling Point: 718.1 °C at 760 mmHg; (15)Vapour Pressure: 1.21E-21 mmHg at 25°C.

What's more, the following datas could be converted into the molecular structure:
(1)SMILES:c1cc2cc(ccc2nc1)Cn3c4c(ncc(n4)c5cnn(c5)CCO)nn3
(2)InChI:InChI=1/C19H16N8O/c28-7-6-26-12-15(9-22-26)17-10-21-18-19(23-17)27(25-24-18)11-13-3-4-16-14(8-13)2-1-5-20-16/h1-5,8-10,12,28H,6-7,11H2
(3)InChIKey:PDMUGYOXRHVNMO-UHFFFAOYAU
(4)Std. InChI:InChI=1S/C19H16N8O/c28-7-6-26-12-15(9-22-26)17-10-21-18-19(23-17)27(25-24-18)11-13-3-4-16-14(8-13)2-1-5-20-16/h1-5,8-10,12,28H,6-7,11H2
(5)Std. InChIKey:PDMUGYOXRHVNMO-UHFFFAOYSA-N

Product Name

PD04217903

Pd-04217903 Specification

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