Chromafenozide (ANS118) - Moligand™, ≥99% , CAS No.143807-66-3

CAS: 143807-66-3 Cat. No.: C710564 Peso molecular: 394.5 Número EC: 604-382-5 PubChem CID: 10157484

GRADE & PURITY Moligand™, ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Chromafenozide (ANS118) is a lepidopteran insecticide with the effect of controlling various lepidopteran pests.

Specifications

Especificaciones y pureza

Moligand™, ≥99%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Pureza

≥99%

Propiedades del producto

• ALogP: 5

Nombres e identificadores

• Pubchem Sid: 528763913
• Sonrisas canónicas: CC1=CC(=CC(=C1)C(=O)N(C(C)(C)C)NC(=O)C2=C(C3=C(C=C2)OCCC3)C)C
• IUPAC Name: N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-5-methyl-3,4-dihydro-2H-chromene-6-carbohydrazide
• InChIKey: HPNSNYBUADCFDR-UHFFFAOYSA-N
• INCHI: 1S/C24H30N2O3/c1-15-12-16(2)14-18(13-15)23(28)26(24(4,5)6)25-22(27)20-9-10-21-19(17(20)3)8-7-11-29-21/h9-10,12-14H,7-8,11H2,1-6H3,(H,25,27)
• Isómeros SMILES: CC1=CC(=CC(=C1)C(=O)N(C(C)(C)C)NC(=O)C2=C(C3=C(C=C2)OCCC3)C)C
• PubChem CID: 10157484
• Peso molecular: 394.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzopyrans
      • Subclass 1-benzopyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-benzopyrans
• Alternative Parents: Benzoic acids and derivatives m-Xylenes Benzoyl derivatives Alkyl aryl ethers Carboxylic acid hydrazides Oxacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1-benzopyran - Benzoic acid or derivatives - Benzoyl - Xylene - M-xylene - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Carboxylic acid hydrazide - Oxacycle - Ether - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 1-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 1-position.
• External Descriptors: Pesticides

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

Objetivos asociados (no humanos)

EcR Ecdysone receptor (102 Activities)

Discover Target: EcR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Bombyx mori (577 Activities)

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Spodoptera littoralis (798 Activities)

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Culicidae (80 Activities)

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Plutella xylostella (1838 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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Ostrinia nubilalis (164 Activities)

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Spodoptera exigua (540 Activities)

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Helicoverpa armigera (708 Activities)

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Mythimna separata (3306 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 394.500 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 394.226 Da
• Monoisotopic Mass: 394.226 Da
• Topological Polar Surface Area: 58.600 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 589.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1