AC1LAS6C structure

AC1LAS6C

4-(2-cyclopropylethynyl)-5,6-difluoro-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one

Also Known As: DPC 963|BDBM2876|Trifluromethylquinazolinone deriv. 13|4-(cyclopropylethynyl)-5,6-difluoro-4-(trifluoromethyl)-3,4-dihydroquinazolin-2(1h)-one|4-(2-cyclopropylethynyl)-5,6-difluoro-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one|2(1H)-Quinazolinone, 4-(cyclopropylethynyl)-5,6-difluoro-3,4-dihydro-4-(trifluoromethyl)-|(+/-)-4-cyclopropylethynyl-5,6-difluoro-4-trifluoromethyl-3,4-dihydro-2(1H)-quinazolinone|(-)-4-cyclopropylethynyl-5,6-difluoro-4-trifluo-romethyl-3,4-dihydro-2(1h)-quinazolinone|4-(Cyclopropylethynyl)-5,6-difluoro-3,4-dihydro-4-(trifluoromethyl)-2(1H)-quinazolinone|4-(Cyclopropylethynyl)-5,6-difluoro-4-(trifluoromethyl)-3,4-dihydroquinazolin-2-ol|4-(2-cyclopropylethynyl)-5,6-difluoro-4-(trifluoromethyl)-1,2,3,4-tetrahydroquinazolin-2-one

CAS: 21498-52-2
Molecular Formula C14H9F5N2O
Molecular Weight 316.0635 g/mol
LogP 3.0
Topological Polar Surface Area 41.1 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
Rotatable Bonds 1
Exact Mass 316.0635
Monoisotopic Mass 316.0635
Heavy Atoms 22
Complexity 546.0

Chemical Identifiers

CAS Number 21498-52-2
SMILES C1CC1C#CC2(C3=C(C=CC(=C3F)F)NC(=O)N2)C(F)(F)F
InChIKey QCNJQJJFXFJVCX-UHFFFAOYSA-N

Patent-Derived Application Labels

Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.

Heterocyclic Building Blocks (17 patents) Pharmaceutical Intermediates (18 patents)

Product Overview

AC1LAS6C (CAS 21498-52-2), with molecular formula C14H9F5N2O and molecular weight 316.0635 g/mol. IUPAC: 4-(2-cyclopropylethynyl)-5,6-difluoro-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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