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| CAS No.: | 796967-16-3 |
|---|---|
| Name: | Linifanib (ABT-869) |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C21H18FN5O |
| Molecular Weight: | 375.405 |
| Synonyms: | N-[4-(3-Amino-1H-indazol-4-yl)phenyl]-N'-(2-fluoro-5-methylphenyl)urea;ABT 869; |
| Density: | 1.424 g/cm3 |
| Melting Point: | 180-183 °C (dec.) |
| Boiling Point: | 542.203 °C at 760 mmHg |
| Flash Point: | 281.715 °C |
| Appearance: | Solid |
| PSA: | 95.83000 |
| LogP: | 5.63080 |
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Specification
The Linifanib ,its cas register number is 796967-16-3.It also can be called as N-[4-(3-Amino-1H-indazol-4-yl)phenyl]-N'-(2-fluoro-5-methylphenyl)urea and the IUPAC name about this chemical is 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea .This chemical has antineoplastic activity.
Following are the chemical properties about Linifanib :(1)#H bond acceptors: 6 ; (2)#H bond donors: 5 ; (3)#Freely Rotating Bonds: 3 ; (4)Polar Surface Area: 95.83Å2 ; (5)Index of Refraction: 1.766 ; (6)Molar Refractivity: 109.086 cm3 ; (7)Molar Volume: 263.568 cm3 ; (8)Polarizability: 43.245x10-24cm3 ; (9)Surface Tension: 71.714 dyne/cm ; (10)Enthalpy of Vaporization: 82.027 kJ/mol ; (11)Vapour Pressure: 0 mmHg at 25 °C
This chemical can be described computed from structure:
(1)Canonical SMILES: CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N
(2)InChI: InChI=1S/C21H18FN5O/c1-12-5-10-16(22)18(11-12)25-21(28)24-14-8-6-13(7-9-14)15-3-2-4-17-19(15)20(23)27-26-17/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28)
(3)InChIKey: MPVGZUGXCQEXTM-UHFFFAOYSA-N