6-Fluoroflavone - ≥97% , CAS No.1218-82-2

CAS: 1218-82-2 Cat. No.: F348152 Fórmula: C₁₅H₉FO₂ Peso molecular: 240.233

GRADE & PURITY ≥97%

Synonyms

Q27452474 | 6-Fluoroflavone | 1V4 | NSC93394 | NSC-93394 | 6-fluoro-2-phenyl-4h-chromen-4-one | SCHEMBL2427741 | 4H-1-Benzopyran-4-one, 6-fluoro-2-phenyl- | 6-Fluoro-2-phenyl-chromen-4-one | 6-fluoro-2-phenylchromen-4-one | FT-0633494 | 6-Fluoroflavanone

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Q27452474 | 6-Fluoroflavone | 1V4 | NSC93394 | NSC-93394 | 6-fluoro-2-phenyl-4h-chromen-4-one | SCHEMBL2427741 | 4H-1-Benzopyran-4-one, 6-fluoro-2-phenyl- | 6-Fluoro-2-phenyl-chromen-4-one | 6-fluoro-2-phenylchromen-4-one | FT-0633494 | 6-Fluoroflavanone

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

504758193

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504758193

Sorrisos canónicos

C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC(=C3)F

IUPAC Name

6-fluoro-2-phenylchromen-4-one

InChIKey

OUYOSBQKQPUNJK-UHFFFAOYSA-N

INCHI

1S/C15H9FO2/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-9H

SMILES isoméricas

C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC(=C3)F

Peso molecular

240.233

Reaxy-Rn

1247617

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1247617&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Flavonoids
      • Subclass Flavones

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Flavonoids
• Subclass: Flavones
• Intermediate Tree Nodes: Not available
• Direct Parent: Flavones
• Alternative Parents: Chromones Pyranones and derivatives Benzene and substituted derivatives Aryl fluorides Heteroaromatic compounds Oxacyclic compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Flavone - Chromone - Benzopyran - 1-benzopyran - Pyranone - Benzenoid - Pyran - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Heteroaromatic compound - Organoheterocyclic compound - Oxacycle - Organooxygen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as flavones. These are flavonoids with a structure based on the backbone of 2-phenylchromen-4-one (2-phenyl-1-benzopyran-4-one).
• 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

Alvos associados (humanos)

TNKS Tchem Tankyrase-1 (2 Activities)

Discover Target: TNKS

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

TNKS Tchem Tankyrase-1 (1241 Activities)

Discover Target: TNKS

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

Alvos associados (não humanos)

CCRF S-180 (1031 Activities)

Explore this target

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

RAW264.7 (28094 Activities)

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

Lewis lung carcinoma cell line (1243 Activities)

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

Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 240.230 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 240.059 Da
• Monoisotopic Mass: 240.059 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 358.000
• 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

How should this product be stored?

Store at room temperature.

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 1218-82-2, the molecular formula is C15H9FO2, and the molecular weight is 240.233 g/mol. InChIKey OUYOSBQKQPUNJK-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.