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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Isoprunetin - ≥95%(LC/MS-ELSD) , CAS No.4569-98-6
Synonyms
7-Hydroxy-3-(4-hydroxyphenyl)-5-methoxy-4H-chromen-4-one | ISOFLAVONE, 4',7-DIHYDROXY-5-METHOXY- | 7-Hydroxy-3-(4-hydroxyphenyl)-5-methoxy-4H-1-benzopyran-4-one | 4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-hydroxyphenyl)-5-methoxy- | UNII-Q2UG76ML8U | NCGC0016
Shipped In
Ice chest + Ice pads
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Why this grade ≥95%(LC/MS-ELSD) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Descripción general Description
Natural product derived from plant source.}
Specifications Sinónimos
7-Hydroxy-3-(4-hydroxyphenyl)-5-methoxy-4H-chromen-4-one | ISOFLAVONE, 4',7-DIHYDROXY-5-METHOXY- | 7-Hydroxy-3-(4-hydroxyphenyl)-5-methoxy-4H-1-benzopyran-4-one | 4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-hydroxyphenyl)-5-methoxy- | UNII-Q2UG76ML8U | NCGC0016
Especificaciones y pureza
≥95%(LC/MS-ELSD)
Condiciones de almacenamiento de almacenamiento
Store at -20°C
Enviado en
Ice chest + Ice pads
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Nombres e identificadores Sonrisas canónicas COC1=CC(=CC2=C1C(=O)C(=CO2)C3=CC=C(C=C3)O)O IUPAC Name 7-hydroxy-3-(4-hydroxyphenyl)-5-methoxychromen-4-one InChIKey YSINCDVRUMTOPK-UHFFFAOYSA-N INCHI 1S/C16H12O5/c1-20-13-6-11(18)7-14-15(13)16(19)12(8-21-14)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3 Isómeros SMILES COC1=CC(=CC2=C1C(=O)C(=CO2)C3=CC=C(C=C3)O)O Número ONU 2811 Peso molecular 284.26 Reaxy-Rn 279130 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=279130&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Phenylpropanoids and polyketides Clase Isoflavonoids Subclass Isoflav-2-enes Intermediate Tree Nodes Not available Direct Parent Isoflavones Alternative Parents Hydroxyisoflavonoids Chromones Anisoles Pyranones and derivatives Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Vinylogous esters Heteroaromatic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Hydroxyisoflavonoid - Isoflavone - Chromone - Benzopyran - 1-benzopyran - Anisole - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Vinylogous ester - Organoheterocyclic compound - Oxacycle - Ether - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound Descripción This compound belongs to the class of organic compounds known as isoflavones. These are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom. 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.
Estructura 3D Objetivos asociados (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Punto de inflamación (°F) Not applicable Punto de inflamación (°C) Not applicable Peso molecular 284.260 g/mol XLogP3 2.400 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 2 Exact Mass 284.068 Da Monoisotopic Mass 284.068 Da Topological Polar Surface Area 76.000 Ų Heavy Atom Count 21 Formal Charge 0 Complexity 424.000 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
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