Epsilon-momfluorothrin - ≥95% , CAS No.1065124-65-3

CAS: 1065124-65-3 Cat. No.: E651309 Molecular Weight: 385.35 PubChem CID: 25015075

GRADE & PURITY ≥95%

Synonyms

Cyclopropanecarboxylic acid, 3-((1Z)-2-cyano-1-propen-1-yl)-2,2-dimethyl-, (2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl)methyl ester, (1R,3R)- | UNII-07I55PCC4G | Momfluorothrin, (Z,1R,3R)- | (Z,1R,3R)-momfluorothrin | AKOS040740782 | 2,3,5,6-Tetrafluoro-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Epsilon-momfluorothrin is a type I synthetic pyrethroid insecticide, activates constitutive androstane receptor (CAR) , and induces hepatocellular tumors in rats

Form:Solid

IC50& Target:Constitutive androstane receptor

Specifications

Synonyms

Cyclopropanecarboxylic acid, 3-((1Z)-2-cyano-1-propen-1-yl)-2, 2-dimethyl-, (2, 3, 5, 6-tetrafluoro-4-(methoxymethyl)phenyl)methyl ester, (1R, 3R)- | UNII-07I55PCC4G | Momfluorothrin, (Z, 1R, 3R)- | (Z, 1R, 3R)-momfluorothrin | AKOS040740782 | 2, 3, 5, 6-Tetrafluoro-

Specifications & Purity

≥95%

Biochemical and Physiological Mechanisms

Epsilon-momfluorothrin is a type I synthetic pyrethroid insecticide, activates constitutive androstane receptor (CAR) , and induces hepatocellular tumors in rats.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CC(=CC1C(C1(C)C)C(=O)OCC2=C(C(=C(C(=C2F)F)COC)F)F)C#N
• IUPAC Name: [2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methyl (1R,3R)-3-[(Z)-2-cyanoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
• InChIKey: DPJITPZADZSLBP-DQXQJKBJSA-N
• INCHI: 1S/C19H19F4NO3/c1-9(6-24)5-12-13(19(12,2)3)18(25)27-8-11-16(22)14(20)10(7-26-4)15(21)17(11)23/h5,12-13H,7-8H2,1-4H3/b9-5-/t12-,13+/m1/s1
• Isomeric SMILES: C/C(=C/[C@@H]1[C@H](C1(C)C)C(=O)OCC2=C(C(=C(C(=C2F)F)COC)F)F)/C#N
• Alternate CAS: 1065124-65-3
• PubChem CID: 25015075
• Molecular Weight: 385.35

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrethroids
• Alternative Parents: Aromatic monoterpenoids Benzyloxycarbonyls Monocyclic monoterpenoids Benzylethers Fluorobenzenes Aryl fluorides Cyclopropanecarboxylic acids and derivatives Carboxylic acid esters Nitriles Monocarboxylic acids and derivatives Dialkyl ethers Carbonyl compounds Organopnictogen compounds Organofluorides Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Pyrethroid skeleton - Aromatic monoterpenoid - Monocyclic monoterpenoid - Monoterpenoid - Benzyloxycarbonyl - Benzylether - Halobenzene - Fluorobenzene - Monocyclic benzene moiety - Cyclopropanecarboxylic acid or derivatives - Aryl halide - Aryl fluoride - Benzenoid - Carboxylic acid ester - Dialkyl ether - Carboxylic acid derivative - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Ether - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrethroids. These are organic compounds similar to the pyrethrins. Some pyrethroids containing a chrysanthemic acid esterified with a cyclopentenone (pyrethrins), or with a phenoxybenzyl group.
• External Descriptors: carboxylic ester - ether - nitrile - cyclopropanes - organofluorine insecticide - tetrafluorobenzene

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: DMSO : 5 mg/mL (12.98 mM; Need ultrasonic)
• Molecular Weight: 385.400 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 385.13 Da
• Monoisotopic Mass: 385.13 Da
• Topological Polar Surface Area: 59.300 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 628.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1