Products for Research Use Only
RegisterLogin

Flubendiamide

CAT: 0013-GTR19262889-02Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19262889-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Flubendiamide is a 1,2-diamide insecticide that works by activating ryanodine receptors.
CAS Number
272451-65-7
Smiles
O=C (NC1=CC=C (C=C1C) C (F) (C (F) (F) F) C (F) (F) F) C=2C=CC=C (I) C2C (=O) NC (C) (C) CS (=O) (=O) C
Molecular Formula
C23H22F7IN2O4S
Molecular Weight
682.39
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Flubendiamide

Flubendiamide is an organofluorine insecticide. It has a role as a ryanodine receptor modulator. It is functionally related to a phthalamide.

CAS Number272451-65-7
PubChem CID11193251
IUPAC Name1-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-3-iodo-2-N-(2-methyl-1-methylsulfonylpropan-2-yl)benzene-1,2-dicarboxamide
Molecular FormulaC23H22F7IN2O4S
Molecular Weight682.4
XLogP5.3
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Heavy Atom Count38
Formal Charge0
Complexity968
SMILES
CC1=C(C=CC(=C1)C(C(F)(F)F)(C(F)(F)F)F)NC(=O)C2=C(C(=CC=C2)I)C(=O)NC(C)(C)CS(=O)(=O)C
InChI
InChI=1S/C23H22F7IN2O4S/c1-12-10-13(21(24,22(25,26)27)23(28,29)30)8-9-16(12)32-18(34)14-6-5-7-15(31)17(14)19(35)33-20(2,3)11-38(4,36)37/h5-10H,11H2,1-4H3,(H,32,34)(H,33,35)
InChIKey
ZGNITFSDLCMLGI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Flubendiamide
CAS: 272451-65-7
CID: 11193251
Formula: C23H22F7IN2O4S
MW: 682.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight682.4
XLogP35.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Exact Mass682.02332
Monoisotopic Mass682.02332
Topological Polar Surface Area101 Ų
Heavy Atom Count38
Formal Charge0
Complexity968
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
T210326-01Flubendiamide
HY-W339331RFlubendiamide (Standard)
450119-01Flubendiamide-d6
LCS-5773-ACN1000 ug/mL Flubendiamide in HPLC Grade Acetonitrile

Popular Products