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AZD 6244

  • Name AZD 6244
  • EINECSN/A
  • CAS No. 606143-52-6
  • Density1.692 g/cm3
  • PSA88.41000
  • LogP3.98950
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC17H15BrClFN4O3
  • Boiling PointN/A
  • Molecular Weight457.687
  • Flash PointN/A
  • Transport InformationN/A
  • AppearanceWhite or pale white solid.
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 606143-52-6 (Selumetinib)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data6

AZD 6244 Specification

 

The 5-[(4-Bromo-2-chlorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzimidazole-6-carboxamide, with the CAS registry number of 606143-52-6, is also known as AZD 6244. This chemical's molecular formula is C17H15BrClFN4O3 and molecular weight is 457.685. What's more, its IUPAC name is 5-[(4-Bromo-2-chlorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzimidazole-6-carboxamide.

Physical properties about the 5-[(4-Bromo-2-chlorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzimidazole-6-carboxamide are: (1)ACD/LogP: 2.59; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 7; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 88.41 Å2; (7)Index of Refraction: 1.672; (8)Molar Refractivity: 101.3 cm3; (9)Molar Volume: 270.523 cm3; (10)Surface Tension: 54.581 dyne/cm; (11)Density: 1.692 g/cm3.

You can still convert the following datas into molecular structure:
(1) SMILES:Brc1ccc(c(Cl)c1)Nc2c(F)c3ncn(c3cc2C(=O)NOCCO)C
(2) InChI:InChI=1/C17H15BrClFN4O3/c1-24-8-21-16-13(24)7-10(17(26)23-27-5-4-25)15(14(16)20)22-12-3-2-9(18)6-11(12)19/h2-3,6-8,22,25H,4-5H2,1H3,(H,23,26)
(3) InChIKey:CYOHGALHFOKKQC-UHFFFAOYAH

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