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34823-86-4

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Basic Information
CAS No.: 34823-86-4
Name: 1-PHENYL-3-H-8-OXA-2,3-DIAZA-CYCLOPENTA[A]INDEN
Article Data: 2
Molecular Structure:
Molecular Structure of 34823-86-4 (1-PHENYL-3-H-8-OXA-2,3-DIAZA-CYCLOPENTA[A]INDEN)
Formula: C15H10N2O
Molecular Weight: 234.257
Synonyms: 3-Phenyl-1H-benzofuro(3,2-c)pyrazole;
Density: 1.321 g/cm3
Melting Point: 222-223 °C
Boiling Point: 459.1 °C at 760 mmHg
Flash Point: 240.7 °C
PSA: 41.82000
LogP: 3.97610
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Specification

The GTP-14564, with the CAS registry number of 34823-86-4, is also known as 1-Phenyl-3-H-8-oxa-2, 3-diaza-cyclopenta[a]inden. This chemical's molecular formula is C15H10N2O and molecular weight is 234.25. What's more, its IUPAC name is 3-Phenyl-1H-[1]benzofuro[3, 2-c]pyrazole. This chemical's classification code is Protein Tyrosine Kinase (PTK) Inhibitors. Besides, the biological activity of this chemical is as follows: potent, selective inhibitor of class III receptor tyrosine kinases (IC 50 values are 0.3 μ M for c-Fms, c-Kit, FLT3 and ITD-FLT3 and 1 μ M for PDGFR β ). Displays no selectivity for ERK1, ERK2, EGFR, MEK1, HER2, Src, Abl, PKC, PKA and Akt (IC50 > 10 μ M). Inhibits FL-dependent proliferation in BaF/ITD-FLT3 cells more potently than BaF/wt-FLT3 cells; anti-leukaemic.

Physical properties about GTP-14564 are: (1)ACD/LogP: 4.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.4; (4)ACD/LogD (pH 7.4): 4.4; (5)ACD/BCF (pH 5.5): 1296.39; (6)ACD/BCF (pH 7.4): 1296.57; (7)ACD/KOC (pH 5.5): 5884.08; (8)ACD/KOC (pH 7.4): 5884.87; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 30.96 Å2; (13)Index of Refraction: 1.738; (14)Molar Refractivity: 71.35 cm3; (15)Molar Volume: 177.2 cm3; (16)Polarizability: 28.28×10-24 cm3; (17)Surface Tension: 61.2 dyne/cm; (18)Density: 1.321 g/cm3; (19)Flash Point: 240.7 °C; (20)Enthalpy of Vaporization: 69.19 kJ/mol; (21)Boiling Point: 459.1 °C at 760 mmHg; (22)Vapour Pressure: 3.56E-08 mmHg at 25 °C.

Preparation: this chemical is prepared by 3-Phenyl-8β-p-toluenesulfonylamido-3α, 8β-dihydro-1H-benzofuro[3, 2-c]pyrazole at heating. The reaction needs reagent Hydrochloric acid (conc.). Meanwhile, it needs solvents Ethanol and H2O.The reaction time is 2 hours. The yield is about 99 %.

You can still convert the following datas into molecular structure:
(1) SMILES: n2nc1c4c(oc1c2c3ccccc3)cccc4
(2) InChI: InChI=1/C15H10N2O/c1-2-6-10(7-3-1)13-15-14(17-16-13)11-8-4-5-9-12(11)18-15/h1-9H,(H,16,17)
(3) InChIKey: DZQLVVLATXPWBK-UHFFFAOYAF