2,7-Diacetylfluorene - ≥98% , CAS No.961-27-3

CAS: 961-27-3 Cat. No.: D154419 Formula: C₁₇H₁₄O₂ Peso molecolare: 250.3 Beilstein Registry Number: 7(3)4150

GRADE & PURITY ≥98%

Synonyms

NSC137171 | NSC-137171 | HMS547P15 | Cambridge id 5107566 | FT-0605804 | FT-0676441 | DTXSID30914661 | 1-O-(3,4-Dihydroxybutyl)2-O-methyl benzene-1,2-dicarboxylate | A856972 | Q-101173 | SCHEMBL3399487 | D2863 | Ethanone,1,1'-(9H-fluorene-2,7-diyl)bis- |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

NSC137171 | NSC-137171 | HMS547P15 | Cambridge id 5107566 | FT-0605804 | FT-0676441 | DTXSID30914661 | 1-O-(3,4-Dihydroxybutyl)2-O-methyl benzene-1,2-dicarboxylate | A856972 | Q-101173 | SCHEMBL3399487 | D2863 | Ethanone,1,1'-(9H-fluorene-2,7-diyl)bis- |

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 488189252
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189252
• Sorrisi canonici: CC(=O)C1=CC2=C(C=C1)C3=C(C2)C=C(C=C3)C(=O)C
• IUPAC Name: 1-(7-acetyl-9H-fluoren-2-yl)ethanone
• InChIKey: RIRYGERFWHUZBT-UHFFFAOYSA-N
• INCHI: 1S/C17H14O2/c1-10(18)12-3-5-16-14(7-12)9-15-8-13(11(2)19)4-6-17(15)16/h3-8H,9H2,1-2H3
• Isomeri SMILES: CC(=O)C1=CC2=C(C=C1)C3=C(C2)C=C(C=C3)C(=O)C
• Peso molecolare: 250.3
• Beilstein: 7(3)4150
• Reaxy-Rn: 2054314
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2054314&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Fluorenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Fluorenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorenes
• Alternative Parents: Acetophenones Aryl alkyl ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Fluorene - Acetophenone - Aryl alkyl ketone - Aryl ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as fluorenes. These are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene.
• 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

Obiettivi associati (umani)

PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

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GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

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TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

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HEK293 (82097 Activities)

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HepG2 (196354 Activities)

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HeLa (62764 Activities)

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GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

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BRCA1 Tchem Breast cancer type 1 susceptibility protein (15908 Activities)

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NPC1 Tchem Niemann-Pick C1 protein (18985 Activities)

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RAB9A Tbio Ras-related protein Rab-9A (22488 Activities)

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MBNL1 Tbio Muscleblind-like protein 1 (34431 Activities)

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microRNA 21 (64692 Activities)

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Obiettivi associati (non umani)

Plasmodium falciparum (966862 Activities)

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Luciferin 4-monooxygenase (66902 Activities)

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Mapt Microtubule-associated protein tau (6 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 250.290 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 250.099 Da
• Monoisotopic Mass: 250.099 Da
• Topological Polar Surface Area: 34.100 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 351.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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 961-27-3, the molecular formula is C17H14O2, and the molecular weight is 250.3 g/mol. InChIKey RIRYGERFWHUZBT-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.