2-Acetilfenantrene - ≥98% , CAS No.5960-69-0

CAS: 5960-69-0 Cat. No.: A124607 Formula: C₁₆H₁₂O Peso molecolare: 220.27

QUALITÀ & PUREZZA ≥98%

Synonyms

Methyl 2-phenanthryl ketone | MLS000324982 | NCGC00247241-01 | AKOS005443236 | HMS2181D14 | NSC-171559 | CHEBI:117210 | DTXSID60208282 | FT-0610979 | Q27203844 | EINECS 227-730-4 | STK366111 | AO-638/40897172 | J-507712 | Benzothiophene-2-carboxylic acid

Storage

Store at 2-8°C,Desiccated

Shipped In

Normale

Specifiche

Sinonimi

Methyl 2-phenanthryl ketone | MLS000324982 | NCGC00247241-01 | AKOS005443236 | HMS2181D14 | NSC-171559 | CHEBI:117210 | DTXSID60208282 | FT-0610979 | Q27203844 | EINECS 227-730-4 | STK366111 | AO-638/40897172 | J-507712 | Benzothiophene-2-carboxylic acid

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Desiccated

Spedito in

Normale

Purezza

≥98%

Nomi e identificatori

Sorrisi canonici

CC(=O)C1=CC2=C(C=C1)C3=CC=CC=C3C=C2

IUPAC Name

1-phenanthren-2-ylethanone

InChIKey

CWILMKDSVMROHT-UHFFFAOYSA-N

INCHI

1S/C16H12O/c1-11(17)13-8-9-16-14(10-13)7-6-12-4-2-3-5-15(12)16/h2-10H,1H3

Isomeri SMILES

CC(=O)C1=CC2=C(C=C1)C3=CC=CC=C3C=C2

WGK Germania

3

Peso molecolare

220.27

Reaxy-Rn

2048488

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2048488&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenanthrenes and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenanthrenes and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenanthrenes and derivatives
• Alternative Parents: Naphthalenes Acetophenones Aryl alkyl ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Phenanthrene - Naphthalene - 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 phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.
• 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)

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

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HEK293 (82097 Activities)

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HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)

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microRNA 21 (64692 Activities)

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

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ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)

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HSPA5 Tchem 78 kDa glucose-regulated protein (3319 Activities)

Discover Target: HSPA5

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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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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 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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ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)

Discover Target: ffp

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di fusione (°C): 144-145°C
• Peso molecolare: 220.260 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 220.089 Da
• Monoisotopic Mass: 220.089 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 296.000
• 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