7-(Benzyloxy)-4-(4-bromo-2-fluoroanilino)-6-methoxyquinazoline supplier

Name
7-(benzyloxy)-N-(4-bromo-2-fluorophenyl)-6-methoxyquinazolin-4-amine
EINECS 1806241-263-5
CAS No. 768350-54-5
Article Data9
CAS DataBase
Density 1.489 g/cm³
Solubility
Melting Point 244-246 °C
Formula C₂₂H₁₇BrFN₃O₂
Boiling Point 541.094 °C at 760 mmHg
Molecular Weight 454.298
Flash Point 281.044 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms QC-1061;
PSA 56.27000
LogP 5.93560

7-(Benzyloxy)-4-(4-bromo-2-fluoroanilino)-6-methoxyquinazoline Specification

The 7-(Benzyloxy)-4-(4-bromo-2-fluoroanilino)-6-methoxyquinazoline, with the CAS registry number 768350-54-5, is also known as 4-Quinazolinamine, N-(4-bromo-2-fluorophenyl)-6-methoxy-7-(phenylmethoxy)-. This chemical's molecular formula is C₂₂H₁₇BrFN₃O₂ and molecular weight is 454.29. What's more, its systematic name is 7-(Benzyloxy)-N-(4-bromo-2-fluorophenyl)-6-methoxy-4-quinazolinamine.

Physical properties of 7-(Benzyloxy)-4-(4-bromo-2-fluoroanilino)-6-methoxyquinazoline are: (1)ACD/LogP: 6.415; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.13; (4)ACD/LogD (pH 7.4): 6.41; (5)ACD/BCF (pH 5.5): 22912.33; (6)ACD/BCF (pH 7.4): 43699.29; (7)ACD/KOC (pH 5.5): 38140.73; (8)ACD/KOC (pH 7.4): 72743.47; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 56.27 Å²; (13)Index of Refraction: 1.679; (14)Molar Refractivity: 115.181 cm³; (15)Molar Volume: 305.138 cm³; (16)Polarizability: 45.661×10^-24cm³; (17)Surface Tension: 56.3 dyne/cm; (18)Density: 1.489 g/cm³; (19)Flash Point: 281.044 °C; (20)Enthalpy of Vaporization: 81.889 kJ/mol; (21)Boiling Point: 541.094 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc(c(F)c1)Nc4ncnc3c4cc(OC)c(OCc2ccccc2)c3
(2)Std. InChI: InChI=1S/C22H17BrFN3O2/c1-28-20-10-16-19(11-21(20)29-12-14-5-3-2-4-6-14)25-13-26-22(16)27-18-8-7-15(23)9-17(18)24/h2-11,13H,12H2,1H3,(H,25,26,27)
(3)Std. InChIKey: UPEHYJHYPMGWJC-UHFFFAOYSA-N

Product Name

7-(benzyloxy)-N-(4-bromo-2-fluorophenyl)-6-methoxyquinazolin-4-amine

7-(Benzyloxy)-4-(4-bromo-2-fluoroanilino)-6-methoxyquinazoline Specification

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