Antitumor agent-3 - ≥99% , CAS No.420126-30-3

CAS: 420126-30-3 Cat. No.: A1306314 Fórmula: C₁₈H₁₀F₆N₄S Peso molecular: 428.4

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Especificações e pureza

≥99%

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥99%

Nomes e identificadores

• Sorrisos canónicos: C1=CC2=NC(=C(N2C=C1)C3=CSC(=N3)NC4=CC=C(C=C4)C(F)(F)F)C(F)(F)F
• IUPAC Name: 4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
• InChIKey: KYPPJHVEENIEGO-UHFFFAOYSA-N
• INCHI: 1S/C18H10F6N4S/c19-17(20,21)10-4-6-11(7-5-10)25-16-26-12(9-29-16)14-15(18(22,23)24)27-13-3-1-2-8-28(13)14/h1-9H,(H,25,26)
• Peso molecular: 428.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Trifluoromethylbenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Trifluoromethylbenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Trifluoromethylbenzenes
• Alternative Parents: Imidazopyridines Imidazo[1,2-a]pyridines Aniline and substituted anilines 2,4-disubstituted thiazoles Pyridines and derivatives N-substituted imidazoles 2-amino-1,3-thiazoles Heteroaromatic compounds Azacyclic compounds Organofluorides Hydrocarbon derivatives Amines Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Trifluoromethylbenzene - Imidazo[1,2-a]pyridine - Imidazopyridine - Aniline or substituted anilines - 2,4-disubstituted 1,3-thiazole - N-substituted imidazole - Pyridine - 1,3-thiazol-2-amine - Azole - Imidazole - Heteroaromatic compound - Thiazole - Azacycle - Organoheterocyclic compound - Organofluoride - Organohalogen compound - Alkyl halide - Hydrocarbon derivative - Alkyl fluoride - Organic nitrogen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
• External Descriptors: Not available

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

Propriedades químicas e físicas

• Peso molecular: 428.400 g/mol
• XLogP3: 6.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 3
• Exact Mass: 428.053 Da
• Monoisotopic Mass: 428.053 Da
• Topological Polar Surface Area: 70.500 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 566.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 420126-30-3, the molecular formula is C18H10F6N4S, and the molecular weight is 428.4 g/mol. InChIKey KYPPJHVEENIEGO-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.