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Fenpyroximate

CAT: 1459-CS-T-93842Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-T-93842Size:1 Each
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Description
Fenpyroximate is listed under Pesticide Standards and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Fenpyroximate. The product is supplied by Clearsynth under CAT No. CS-T-93842. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
111812-58-9
Synonyms
Fenpyroximate
Molecular Formula
C 24 H 27 N 3 O 4
Molecular Weight
421.5
Additionnal Information
Fenpyroximate is supplied with detailed characterization data compliant with regulatory guideline. Fenpyroximate can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Fenpyroximate.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

Chemical Information

Fenpyroximate

Fenpyroximate is a tert-butyl ester and a pyrazole acaricide. It has a role as a mitochondrial NADH:ubiquinone reductase inhibitor. It derives from a hydride of a 1H-pyrazole.

CAS Number111812-58-9
PubChem CID9576412
IUPAC Nametert-butyl 4-[[(E)-(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylideneamino]oxymethyl]benzoate
Molecular FormulaC24H27N3O4
Molecular Weight421.5
XLogP4.9
Topological Polar Surface Area74.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count31
Formal Charge0
Complexity592
SMILES
CC1=NN(C(=C1/C=N/OCC2=CC=C(C=C2)C(=O)OC(C)(C)C)OC3=CC=CC=C3)C
InChI
InChI=1S/C24H27N3O4/c1-17-21(22(27(5)26-17)30-20-9-7-6-8-10-20)15-25-29-16-18-11-13-19(14-12-18)23(28)31-24(2,3)4/h6-15H,16H2,1-5H3/b25-15+
InChIKey
YYJNOYZRYGDPNH-MFKUBSTISA-N
Chemical Structure
2D Structure
2D structure of Fenpyroximate
CAS: 111812-58-9
CID: 9576412
Formula: C24H27N3O4
MW: 421.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight421.5
XLogP34.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass421.20015635
Monoisotopic Mass421.20015635
Topological Polar Surface Area74.9 Ų
Heavy Atom Count31
Formal Charge0
Complexity592
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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