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CS-W001157 4
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6-(2-Chloro-5-fluoropyrimidin-4-yl)-1-cyclopropyl-4-fluoro-2-methyl-1H-benzo[d]imidazole

  • CAS No. 1231930-43-0

  • Cat. No. CS-0435587
  • Purity≥98%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

6-(2-Chloro-5-fluoropyrimidin-4-yl)-1-cyclopropyl-4-fluoro-2-methyl-1H-benzo[d]imidazole|CS-0435587

Structure of 1231930-43-0

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General Information

  • CAS No. 1231930-43-0
  • Cat. No. CS-0435587
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₁ClF₂N₄
  • Molecular Weight 320.72
  • Synonym(s) None
  • SMILES CC1=NC2=C(F)C=C(C3=NC(Cl)=NC=C3F)C=C2N1C4CC4

Description

This fluorinated benzoimidazole integrates a cyclopropyl group and a chloro-fluoropyrimidine moiety, delivering enhanced metabolic stability and target affinity. Designed for precision in medicinal chemistry, it serves as a key scaffold in kinase inhibitor development, offering improved solubility and robust performance under standard reaction conditions.

Application

6-(2-Chloro-5-fluoropyrimidin-4-yl)-1-cyclopropyl-4-fluoro-2-methyl-1H-benzo[d]imidazole serves as a versatile building block in medicinal chemistry, enabling efficient construction of kinase-inhibitor scaffolds. Its pyrimidine core facilitates palladium-catalyzed cross-coupling reactions, while the benzoimidazole framework offers robust stability and favorable pharmacophore properties. The molecule exhibits excellent bench stability and compatibility with standard purification methods, making it well-suited for iterative synthesis campaigns in drug discovery.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362

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Computational Chemistry Data

  • TPSA   43.6
  • LogP   4.06822
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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