2,6-Bis(4-fluorobenzylidene)cyclohexanone - ≥96%(HPLC) , CAS No.62085-74-9

CAS: 62085-74-9 Cat. No.: B152264 Summenformel: C₂₀H₁₆F₂O Molekulargewicht: 310.34 Beilstein Registry Number: 7(4)1800

GRADE & PURITY ≥96%(HPLC)

Synonyms

(2E,6E)-2,6-bis(4-fluorobenzylidene)cyclohexanone | NSC632830 | NSC-632830 | 2,6-bis-(4-Fluorobenzylidene)cyclohexanone | 2,6-Bis(4-fluorobenzylidene)cyclohexanone | AKOS001030473 | (2E,6E)-2,6-bis[(4-fluorophenyl)methylidene]cyclohexan-1-one | 6R-0035 |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

(2E,6E)-2,6-bis(4-fluorobenzylidene)cyclohexanone | NSC632830 | NSC-632830 | 2,6-bis-(4-Fluorobenzylidene)cyclohexanone | 2,6-Bis(4-fluorobenzylidene)cyclohexanone | AKOS001030473 | (2E,6E)-2,6-bis[(4-fluorophenyl)methylidene]cyclohexan-1-one | 6R-0035 |

Spezifikationen & Reinheit

≥96%(HPLC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥96%(HPLC)

Namen und Kennungen

• Pubchem Sid: 488191966
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191966
• Kanonisches Lächeln: C1CC(=CC2=CC=C(C=C2)F)C(=O)C(=CC3=CC=C(C=C3)F)C1
• IUPAC Name: (2E,6E)-2,6-bis[(4-fluorophenyl)methylidene]cyclohexan-1-one
• InChIKey: STPNBQOTKFPYEG-UNZYHPAISA-N
• INCHI: 1S/C20H16F2O/c21-18-8-4-14(5-9-18)12-16-2-1-3-17(20(16)23)13-15-6-10-19(22)11-7-15/h4-13H,1-3H2/b16-12+,17-13+
• Isomere SMILES: C1C/C(=C\C2=CC=C(C=C2)F)/C(=O)/C(=C/C3=CC=C(C=C3)F)/C1
• Molekulargewicht: 310.34
• Beilstein: 7(4)1800
• Reaxy-Rn: 9788635
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9788635&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Klasse Diarylheptanoids
      • Subclass Linear diarylheptanoids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: Diarylheptanoids
• Subclass: Linear diarylheptanoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Linear diarylheptanoids
• Alternative Parents: Fluorobenzenes Aryl fluorides Cyclic ketones Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Linear 1,7-diphenylheptane skeleton - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Cyclic ketone - Ketone - Organic oxygen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain.
• 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

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TYR Tclin Tyrosinase (717 Activities)

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HSD17B3 Tchem Estradiol 17-beta-dehydrogenase 3 (821 Activities)

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BGC-823 (3035 Activities)

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HL-60 (67320 Activities)

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HT-29 (80576 Activities)

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PANC-1 (6144 Activities)

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PC-3 (62116 Activities)

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KB (17409 Activities)

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CNE (323 Activities)

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Hsd11b1 11-beta-hydroxysteroid dehydrogenase 1 (202 Activities)

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Hsd11b2 11-beta-hydroxysteroid dehydrogenase 2 (82 Activities)

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Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Escherichia coli (133304 Activities)

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Mycobacterium tuberculosis (203094 Activities)

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Aspergillus fumigatus (16427 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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Candida parapsilosis (8521 Activities)

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Leishmania amazonensis (3813 Activities)

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Trypanosoma cruzi (99888 Activities)

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Plasmodium berghei (192651 Activities)

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J774.A1 (2436 Activities)

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RAW264.7 (28094 Activities)

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Vero (26788 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 310.300 g/mol
• XLogP3: 5.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 310.117 Da
• Monoisotopic Mass: 310.117 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 436.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1

Häufig gestellte Fragen

How should this product be stored?

Store at room temperature.

What is the purity of this product, and how is it determined?

This product is supplied at ≥96% purity, determined by HPLC. 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 62085-74-9, the molecular formula is C20H16F2O, and the molecular weight is 310.34 g/mol. InChIKey STPNBQOTKFPYEG-UNZYHPAISA-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.