GDC-0879 supplier | CasNO.905281-76-7

Name
GDC-0879
EINECS
CAS No. 905281-76-7
Article Data2
CAS DataBase
Density 1.371g/cm³
Solubility
Melting Point
Formula C₁₉H₁₈N₄O₂
Boiling Point 562.573 °C at 760 mmHg
Molecular Weight 334.378
Flash Point 294.034 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms GDC-0879
PSA 83.53000
LogP 2.65130

GDC-0879 Specification

The GDC-0879, with CAS registry number 905281-76-7, has the systematic name of 5-[1-(2-hydroxyethyl)-3-(4-pyridyl)pyrazol-4-yl]indan-1-one oxime. And its IUPAC name is 2-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]ethanol. And the chemical formula of this chemical is C₁₉H₁₈N₄O₂.

Physical properties of GDC-0879: (1)ACD/LogP: 3.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.698; (4)ACD/LogD (pH 7.4): 3.699; (5)ACD/BCF (pH 5.5): 380.773; (6)ACD/BCF (pH 7.4): 381.301; (7)ACD/KOC (pH 5.5): 2447.137; (8)ACD/KOC (pH 7.4): 2450.533; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 83.53 Å²; (13)Index of Refraction: 1.705; (14)Molar Refractivity: 94.736 cm³; (15)Molar Volume: 243.832 cm³; (16)Polarizability: 37.556×10^-24cm³; (17)Surface Tension: 58.209 dyne/cm; (18)Enthalpy of Vaporization: 88.978 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc\2c(cc1c3cn(nc3c4ccncc4)CCO)CC/C2=N/O
(2)InChI: InChI=1/C19H18N4O2/c24-10-9-23-12-17(19(21-23)13-5-7-20-8-6-13)15-1-3-16-14(11-15)2-4-18(16)22-25/h1,3,5-8,11-12,24-25H,2,4,9-10H2/b22-18-
(3)InChIKey: DEZZLWQELQORIU-PYCFMQQDBL
(4)Std. InChI: InChI=1S/C19H18N4O2/c24-10-9-23-12-17(19(21-23)13-5-7-20-8-6-13)15-1-3-16-14(11-15)2-4-18(16)22-25/h1,3,5-8,11-12,24-25H,2,4,9-10H2/b22-18-
(5)Std. InChIKey: DEZZLWQELQORIU-PYCFMQQDSA-N

Product Name

GDC-0879

GDC-0879 Specification

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