CAS No.338992-20-4,Tert-butyl 4-((4-(4-bromo-2-fluorophenylamino)-6-methoxyquinazolin-7-yloxy)methyl)piperidine-1-carboxylate Suppliers

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Molecular Structure:
CAS No.:	338992-20-4
Name:	Tert-butyl 4-((4-(4-bromo-2-fluorophenylamino)-6-methoxyquinazolin-7-yloxy)methyl)piperidine-1-carboxylate
Article Data:	8

Formula:	C₂₆H₃₀BrFN₄O₄
Molecular Weight:	561.451
Synonyms:	Iflab-Bb F2108-0189; N-Methyl-4-Chloro-Pyridine-2-Carboxamide; 4-Chloro-N-Methylpicolinamide; 4-Chloro-N-Methyl-2-Pyridinecarboxamide; 4-Chloro-N-Menthylphcolinamide; 4-Chloropyridine-2-Carboxylic Acid Methylamide; N-Methyl-4-Chloro-2-Pyridinecarboxamide; N-Methyl-4-Chloropicolinamide; 2-(4-chloropyridin-2-yl)acetamide; N-Methyl-4-chloropyridine-2-carboxamide; Tert-butyl 4-((4-(4-bromo-2-fluorophenylamino)-6-methoxyquinazolin-7-yloxy)methyl)piperidine-1-carboxylate
Density:	1.386 g/cm³
Boiling Point:	608.714 °C at 760 mmHg
Flash Point:	321.939 °C
PSA:	85.81000
LogP:	6.32040

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Specification

The 4-[[[4-[(4-Bromo-2-fluorophenyl)amino]-6-methoxy-7-quinazolinyl]oxy]methyl]-1-piperidinecarboxylic acid tert-butyl ester, with the CAS registry number 338992-20-4, is also known as 1-Piperidinecarboxylic acid, 4-[[[4-[(4-bromo-2-fluorophenyl)amino]-6-methoxy-7-quinazolinyl]oxy]methyl]-, 1,1-dimethylethyl ester. This chemical's molecular formula is C₂₆H₃₀BrFN₄O₄ and molecular weight is 561.44. What's more, its systematic name is 2-Methyl-2-propanyl 4-[({4-[(4-bromo-2-fluorophenyl)amino]-6-methoxy-7-quinazolinyl}oxy)methyl]-1-piperidinecarboxylate.

Physical properties of 4-[[[4-[(4-Bromo-2-fluorophenyl)amino]-6-methoxy-7-quinazolinyl]oxy]methyl]-1-piperidinecarboxylic acid tert-butyl ester are: (1)ACD/LogP: 6.239; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 5.95; (4)ACD/LogD (pH 7.4): 6.23; (5)ACD/BCF (pH 5.5): 16862.56; (6)ACD/BCF (pH 7.4): 32128.74; (7)ACD/KOC (pH 5.5): 30634.54; (8)ACD/KOC (pH 7.4): 58368.89; (9)#H bond acceptors: 8; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 85.81 Å²; (13)Index of Refraction: 1.608; (14)Molar Refractivity: 140.145 cm³; (15)Molar Volume: 405.157 cm³; (16)Polarizability: 55.558×10^-24cm³; (17)Surface Tension: 53.3 dyne/cm; (18)Density: 1.386 g/cm³; (19)Flash Point: 321.939 °C; (20)Enthalpy of Vaporization: 90.435 kJ/mol; (21)Boiling Point: 608.714 °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)Nc4ncnc3cc(OCC2CCN(C(=O)OC(C)(C)C)CC2)c(OC)cc34
(2)Std. InChI: InChI=1S/C26H30BrFN4O4/c1-26(2,3)36-25(33)32-9-7-16(8-10-32)14-35-23-13-21-18(12-22(23)34-4)24(30-15-29-21)31-20-6-5-17(27)11-19(20)28/h5-6,11-13,15-16H,7-10,14H2,1-4H3,(H,29,30,31)
(3)Std. InChIKey: DJQLEEANCWENKG-UHFFFAOYSA-N