CAS No.849217-64-7,Foretinib (GSK1363089) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	849217-64-7
Name:	Foretinib (GSK1363089)
Article Data:	7

Formula:	C₃₄H₃₄F₂N₄O₆
Molecular Weight:	632.664
Synonyms:	N1'-[3-fluoro-4-[[6-methoxy-7-(3-morpholinopropoxy)-4-quinolyl]oxy]phenyl]-N1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;N-[3-Fluoro-4-[[6-methoxy-7-[3-(4-morpholinyl)propoxy]-4-quinolinyl]oxy]phenyl]-N'-(4-fluorophenyl)-1,1-cyclopropanedicarboxamide; N-[3-Fluoro-4-[[6-(methyloxy)-7-[[3-(morpholin-4-yl)propyl]oxy]quinolin-4-yl]oxy]phenyl]-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;GSK 1363089;
Density:	1.373 g/cm³
Boiling Point:	828.475 °C at 760 mmHg
Flash Point:	454.846 °C
PSA:	116.45000
LogP:	5.98340

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Specification

The Foretinib, with the CAS registry number 84951-44-0, is also called N1'-[3-fluoro-4-[[6-methoxy-7-(3-morpholinopropoxy)-4-quinolyl]oxy]phenyl]-N1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide. And the molecular formula of the chemical is C₃₄H₃₄F₂N₄O₆.

The characteristics of Foretinib are as followings: (1)ACD/LogP: 2.28; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 0.568; (4)ACD/LogD (pH 7.4): 2.12; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 22.073; (7)ACD/KOC (pH 5.5): 8.076; (8)ACD/KOC (pH 7.4): 287.841; (9)#H bond acceptors: 10; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 111.25 Å²; (13)Index of Refraction: 1.649; (14)Molar Refractivity: 167.865 cm³; (15)Molar Volume: 460.799 cm³; (16)Polarizability: 66.547×10^-24cm³; (17)Surface Tension: 62.159 dyne/cm; (18)Density: 1.373 g/cm³; (19)Flash Point: 454.846 °C; (20)Enthalpy of Vaporization: 120.399 kJ/mol; (21)Boiling Point: 828.475 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: COc1cc2c(ccnc2cc1OCCCN3CCOCC3)Oc4ccc(cc4F)NC(=O)C5(CC5)C(=O)Nc6ccc(cc6)F
(2)InChI: InChI=1/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42)
(3)InChIKey: CXQHYVUVSFXTMY-UHFFFAOYAU