3-Hydroxy-4'-methoxyflavone - ≥98% , CAS No.6889-78-7

CAS: 6889-78-7 Cat. No.: H157186 Formula: C₁₆H₁₂O₄ Peso molecolare: 268.27 Numero EC: 677-019-1

GRADE & PURITY ≥98%

Synonyms

328R9ELU9F | 3-hydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one | NCGC00142582-01 | UNII-328R9ELU9F | 2-(4-Methoxyphenyl)-3-hydroxyflavone | 5-bromo-2,3-dihydro-1H-1,3-benzodiazol-2-one | Q63408844 | ST066904 | 3-hydroxy-2-(4-methoxyphenyl)-chromen-4-one | 3-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinonimi

328R9ELU9F | 3-hydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one | NCGC00142582-01 | UNII-328R9ELU9F | 2-(4-Methoxyphenyl)-3-hydroxyflavone | 5-bromo-2,3-dihydro-1H-1,3-benzodiazol-2-one | Q63408844 | ST066904 | 3-hydroxy-2-(4-methoxyphenyl)-chromen-4-one | 3-

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 504756353
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756353
• Sorrisi canonici: COC1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)O
• IUPAC Name: 3-hydroxy-2-(4-methoxyphenyl)chromen-4-one
• InChIKey: IIBBFGMVMNZMGA-UHFFFAOYSA-N
• INCHI: 1S/C16H12O4/c1-19-11-8-6-10(7-9-11)16-15(18)14(17)12-4-2-3-5-13(12)20-16/h2-9,18H,1H3
• Isomeri SMILES: COC1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)O
• Peso molecolare: 268.27
• Reaxy-Rn: 251466
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=251466&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Flavonoids
      • Subclass Flavones

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Flavonoids
• Subclass: Flavones
• Intermediate Tree Nodes: Not available
• Direct Parent: Flavonols
• Alternative Parents: 4'-O-methylated flavonoids 3-hydroxyflavonoids 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-methoxyflavonoid-skeleton - 3-hydroxyflavone - 3-hydroxyflavonoid - Hydroxyflavonoid - Chromone - Benzopyran - 1-benzopyran - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Pyranone - Alkyl aryl ether - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Oxacycle - Ether - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as flavonols. These are compounds that contain a flavone (2-phenyl-1-benzopyran-4-one) backbone carrying a hydroxyl group at the 3-position.
• External Descriptors: Flavones and Flavonols

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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Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di fusione (°C): 234 °C
• Peso molecolare: 268.260 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 268.074 Da
• Monoisotopic Mass: 268.074 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 407.000
• 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

Riferimenti

1. Yanglin Jiang, Qizheng Zhang, Xunwu Hu, Ting Liang, Ailin Sun, Chenjie Xu, Peng Wang, Ye Zhang.  (2025)  Fluorogenic Crystallization via Enzyme-Instructed Excited-State Intramolecular Proton Transfer for Dynamic Microenvironment Profiling.  ACS Sensors,      [PMID:40052415] [10.1021/acssensors.4c03641]

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 ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 6889-78-7, the molecular formula is C16H12O4, and the molecular weight is 268.27 g/mol. InChIKey IIBBFGMVMNZMGA-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.