2,2'-Dimethoxybenzil - ≥98% , CAS No.6706-92-9

CAS: 6706-92-9 Cat. No.: B696427 分子式: C₁₆H₁₄O₄ 分子量: 270.28 PubChem CID: 222475

GRADE & PURITY ≥98%

Synonyms

Zinc01586787 | Nsc8507 | O-Anisil | 1,2-Bis(2-methoxyphenyl)-1,2-ethanedione | 1,2-bis(2-methoxyphenyl)ethane-1,2-dione

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

同義語

Zinc01586787 | Nsc8507 | O-Anisil | 1,2-Bis(2-methoxyphenyl)-1,2-ethanedione | 1,2-bis(2-methoxyphenyl)ethane-1,2-dione

仕様と純度

≥98%

保管条件

Store at 2-8°C

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

製品の性質

• ALogP: 2.9

名前と識別子

• パブケム・シド: 528757730
• カノニカル・スマイル: COC1=CC=CC=C1C(=O)C(=O)C2=CC=CC=C2OC
• IUPAC Name: 1,2-bis(2-methoxyphenyl)ethane-1,2-dione
• InChIKey: PYDAJROJMZJKFS-UHFFFAOYSA-N
• INCHI: 1S/C16H14O4/c1-19-13-9-5-3-7-11(13)15(17)16(18)12-8-4-6-10-14(12)20-2/h3-10H,1-2H3
• 異性体SMILES: COC1=CC=CC=C1C(=O)C(=O)C2=CC=CC=C2OC
• PubChem CID: 222475
• 分子量: 270.28

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • 分類 Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 分類: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Phenoxy compounds Methoxybenzenes Benzoyl derivatives Aryl ketones Anisoles Alkyl aryl ethers Alpha-diketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - Anisole - Benzoyl - Phenol ether - Phenoxy compound - Aryl ketone - Methoxybenzene - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Alpha-diketone - Ketone - Ether - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• 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

関連ターゲット（人間）

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BCHE Tclin Butyrylcholinesterase (7174 Activities)

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CES1 Tchem Acyl coenzyme A:cholesterol acyltransferase (1029 Activities)

Discover Target: CES1

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POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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作用メカニズム

化学的性質と物理的性質

• 分子量: 270.280 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 270.089 Da
• Monoisotopic Mass: 270.089 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 318.000
• 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