6-(2-Chloro-5-fluoropyrimidin-4-yl)-4-fluoro-2-methyl-1-(propan-2-yl)-1H-1,3-benzodiazole

CAS No. 1231930-42-9
Cat. No. CS-M2091
Molecule weight322.74
Purity≥98%
MDL No.MFCD25977328

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6-(2-Chloro-5-fluoropyrimidin-4-yl)-4-fluoro-2-methyl-1-(propan-2-yl)-1H-1,3-benzodiazole|CS-M2091

Structure of 1231930-42-9

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General Information

CAS No. 1231930-42-9
Cat. No. CS-M2091
Purity ≥98%
MDL No. MFCD25977328
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₅H₁₃ClF₂N₄
Molecular Weight 322.74
Synonym(s) LY2835219 intermediate
SMILES CC1=NC2=C(F)C=C(C3=NC(Cl)=NC=C3F)C=C2N1C(C)C

Description

This fluorinated benzodiazole integrates a chloro-fluoropyrimidine moiety with a methylated propan-2-yl group, delivering enhanced metabolic stability and target affinity. Designed for precision in kinase inhibition studies, it exhibits robust bench stability and solubility under standard conditions.

Application

6-(2-Chloro-5-fluoropyrimidin-4-yl)-4-fluoro-2-methyl-1-(propan-2-yl)-1H-1,3-benzodiazole serves as a versatile building block in medicinal chemistry, enabling efficient construction of kinase inhibitor scaffolds. Its fluorinated pyrimidine moiety facilitates robust coupling reactions, while the benzodiazole core offers enhanced metabolic stability and favorable binding interactions. The molecule exhibits bench-stable handling, tolerates diverse functional groups, and supports scalable synthesis via standard cross-coupling protocols.

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 : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 43.6
LogP 4.31422
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Skeleton Aromatic heterocycle compounds Benzimidazole compounds

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Key Words

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6-(2-Chloro-5-fluoropyrimidin-4-yl)-4-fluoro-2-methyl-1-(propan-2-yl)-1H-1,3-benzodiazole

CAS No. 1231930-42-9

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