4',7-Dimethoxyisoflavone - ≥97% , CAS No.1157-39-7

CAS: 1157-39-7 Cat. No.: D155767 Summenformel: C₁₇H₁₄O₄ Molekulargewicht: 282.3

GRADE & PURITY ≥97%

Synonyms

BDBM50491177 | Difluoromethane or Refrigerant gas R 32 | HSDB 170 | SMR001562127 | 7-Methoxy-3-(4-methoxyphenyl)-4H-1-benzopyran-4-one | AS-69269 | Daidzein-7,4?-dimethyl ether | Oprea1_523121 | 7-Methoxy-3-(4-methoxyphenyl)-4H-chromen-4-one | F3385-0965

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

BDBM50491177 | Difluoromethane or Refrigerant gas R 32 | HSDB 170 | SMR001562127 | 7-Methoxy-3-(4-methoxyphenyl)-4H-1-benzopyran-4-one | AS-69269 | Daidzein-7,4?-dimethyl ether | Oprea1_523121 | 7-Methoxy-3-(4-methoxyphenyl)-4H-chromen-4-one | F3385-0965

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Aktionsart

INHIBITOR

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 488187875
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187875
• Kanonisches Lächeln: COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC
• IUPAC Name: 7-methoxy-3-(4-methoxyphenyl)chromen-4-one
• InChIKey: LPNBCGIVZXHHHO-UHFFFAOYSA-N
• INCHI: 1S/C17H14O4/c1-19-12-5-3-11(4-6-12)15-10-21-16-9-13(20-2)7-8-14(16)17(15)18/h3-10H,1-2H3
• Isomere SMILES: COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC
• Molekulargewicht: 282.3
• Reaxy-Rn: 265550
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=265550&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Klasse Isoflavonoids
      • Subclass O-methylated isoflavonoids
        • Ebene5 7-O-methylated isoflavonoids
          • Ebene6 7-O-methylisoflavones

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: Isoflavonoids
• Subclass: O-methylated isoflavonoids
• Intermediate Tree Nodes: 7-O-methylated isoflavonoids
• Direct Parent: 7-O-methylisoflavones
• Alternative Parents: 4'-O-methylisoflavones Isoflavones Chromones Phenoxy compounds Methoxybenzenes Anisoles Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 4p-o-methylisoflavone - 7-o-methylisoflavone - Isoflavone - Chromone - Benzopyran - 1-benzopyran - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Pyranone - Benzenoid - Monocyclic benzene moiety - Pyran - Heteroaromatic compound - Organoheterocyclic compound - Ether - Oxacycle - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as 7-o-methylisoflavones. These are isoflavones with methoxy groups attached to the C7 atom of the isoflavone backbone.
• External Descriptors: Isoflavonoids

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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PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

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POLI Tchem DNA polymerase iota (116820 Activities)

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

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)

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USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)

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TARDBP Tchem TAR DNA-binding protein 43 (40113 Activities)

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Helicobacter pylori (3113 Activities)

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Trypanosoma brucei brucei (13300 Activities)

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Leishmania donovani (89745 Activities)

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Vero (26788 Activities)

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

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 161-165°C
• Molekulargewicht: 282.290 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 282.089 Da
• Monoisotopic Mass: 282.089 Da
• Topological Polar Surface Area: 44.800 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 409.000
• 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

Häufig gestellte Fragen

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 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 1157-39-7, the molecular formula is C17H14O4, and the molecular weight is 282.3 g/mol. InChIKey LPNBCGIVZXHHHO-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.