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CS-W001157 4
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8-Bromo-2-chloroquinazolin-4(3H)-one

  • CAS No. 331647-04-2

  • Cat. No. CS-0044998
  • Purity≥97%
  • MDL No.MFCD11858287

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

8-Bromo-2-chloroquinazolin-4(3H)-one|CS-0044998

Structure of 331647-04-2

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General Information

  • CAS No. 331647-04-2
  • Cat. No. CS-0044998
  • Purity ≥97%
  • MDL No. MFCD11858287
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₄BrClN₂O
  • Molecular Weight 259.49
  • Synonym(s) 2-Chloro-8-broMoquinazolin-4(3H)-one
  • SMILES O=C1NC(Cl)=NC2=C1C=CC=C2Br

Description

8-Bromo-2-chloroquinazolin-4(3H)-one features a fused heterocyclic core bearing bromo and chloro substituents at the 8- and 2-positions, respectively. This electron-deficient scaffold integrates readily into medicinal chemistry campaigns targeting kinase inhibition and DNA intercalation. The molecule exhibits enhanced metabolic stability and favorable solubility profiles under standard conditions.

Application

8-Bromo-2-chloroquinazolin-4(3H)-one serves as a versatile heterocyclic building block for medicinal chemistry campaigns, enabling direct functionalization at C8 and C2 positions. Its stability under standard reaction conditions facilitates palladium-catalyzed cross-coupling, nucleophilic substitution, and further derivatization in the synthesis of kinase inhibitors and other bioactive scaffolds.

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   45.75
  • LogP   2.339
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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