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Broflanilide

CAT: 0931-T10618-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T10618-02Size:2 mg
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CAS Number
1207727-04-5
Target
GABA Receptor
Related Pathways
Neuroscience, Membrane transporter/Ion channel
Purity
0.9982
Bioactivity
Broflanilide is metabolized to desmethyl-broflanilide, which is a potent antagonist at the insect resistant-to-dieldrin GABA receptor and inhibits S. litura RDL GABAR with IC50 of 1.3 nM.
Smiles
CN(C(=O)c1ccccc1)c1cccc(C(=O)Nc2c(Br)cc(cc2C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)c1F
Molecular Formula
C25H14BrF11N2O2
Molecular Weight
663.29
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Broflanilide

Broflanilide is a benzamide obtained by formal condensation of the carboxy group of 3-[benzoyl(methyl)amino]-2-fluorobenzoic acid with the amino group of 2-bromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)aniline. An insecticide that exhibits high larvicidal activity against Spodoptera litura and is effective against pests with resistance to cyclodienes and fipronil. It has a role as an insecticide, an agrochemical and a GABA antagonist. It is a member of benzamides, a member of bromobenzenes, an organofluorine insecticide, a member of (trifluoromethyl)benzenes and a member of monofluorobenzenes.

CAS Number1207727-04-5
PubChem CID53341374
IUPAC Name3-[benzoyl(methyl)amino]-N-[2-bromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)phenyl]-2-fluorobenzamide
Molecular FormulaC25H14BrF11N2O2
Molecular Weight663.3
XLogP7.7
Topological Polar Surface Area49.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count13
Rotatable Bond Count5
Heavy Atom Count41
Formal Charge0
Complexity922
SMILES
CN(C1=CC=CC(=C1F)C(=O)NC2=C(C=C(C=C2Br)C(C(F)(F)F)(C(F)(F)F)F)C(F)(F)F)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C25H14BrF11N2O2/c1-39(21(41)12-6-3-2-4-7-12)17-9-5-8-14(18(17)27)20(40)38-19-15(23(29,30)31)10-13(11-16(19)26)22(28,24(32,33)34)25(35,36)37/h2-11H,1H3,(H,38,40)
InChIKey
QSLZKWPYTWEWHC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Broflanilide
CAS: 1207727-04-5
CID: 53341374
Formula: C25H14BrF11N2O2
MW: 663.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight663.3
XLogP37.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count13
Rotatable Bond Count5
Exact Mass662.00630
Monoisotopic Mass662.00630
Topological Polar Surface Area49.4 Ų
Heavy Atom Count41
Formal Charge0
Complexity922
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA6657-50Broflanilide
A19824-25Broflanilide 25mg
A19824-1Broflanilide 1mg
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A19824-100Broflanilide 100mg
A19824-5Broflanilide 5mg
A19824-50Broflanilide 50mg
A19824-10Broflanilide 10mg
AR-B07788-01N-Nitroso Broflanilide
A19824-10mM-DBroflanilide 10mM * 1mL in DMSO

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