Isoprunetin - ≥95%(LC/MS-ELSD) , CAS No.4569-98-6

CAS: 4569-98-6 Cat. No.: I463834 Fórmula: C16H12O5 Peso molecular: 284.26 Número CE: 803-860-2
Disponível para encomenda
GRADE & PURITY ≥95%(LC/MS-ELSD)
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
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
★
Size
Alemanha (EU)
USA*
Price
Qty
1mg
I463834-1mg
Sob encomenda · 8–12 semanas

734,02€

857,24€
Gravar 123,22 € (14.37%)
Enter a quantity for the sizes you want to add.
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Why this grade

≥95%(LC/MS-ELSD) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Visão geral

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
Especificações e pureza
≥95%(LC/MS-ELSD)
Condições de armazenamento de armazenamento
Store at -20°C
Enviado em
Ice chest + Ice pads
Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.
Pureza
≥95%(LC/MS-ELSD)
Nomes e identificadores
Sorrisos canónicosCOC1=CC(=CC2=C1C(=O)C(=CO2)C3=CC=C(C=C3)O)O
IUPAC Name7-hydroxy-3-(4-hydroxyphenyl)-5-methoxychromen-4-one
InChIKeyYSINCDVRUMTOPK-UHFFFAOYSA-N
INCHI1S/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
SMILES isoméricas COC1=CC(=CC2=C1C(=O)C(=CO2)C3=CC=C(C=C3)O)O
Número UN 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

Taxonomy Tree

KingdomOrganic compounds
SuperclassPhenylpropanoids and polyketides
ClasseIsoflavonoids
SubclassIsoflav-2-enes
Intermediate Tree Nodes Not available
Direct ParentIsoflavones
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 FrameworkAromatic 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
DescriçãoThis 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
Estrutura 3D
Modelo de Estrutura Química Interativa





Alvos associados (humanos)
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Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
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GMNN Tbio Geminin (128009 Activities)
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Mecanismos de ação
Certificados(CoA,COO,BSE/TSE e Mapa de Análise)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriedades químicas e físicas
Ponto de inflamação (°F)Not applicable
Ponto de inflamação (°C)Not applicable
Peso molecular284.260 g/mol
XLogP32.400
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass284.068 Da
Monoisotopic Mass284.068 Da
Topological Polar Surface Area76.000 Ų
Heavy Atom Count21
Formal Charge0
Complexity424.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluções
Revisões

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