(E)-2'-Hydroxy-3,4-dimethoxychalcone - ≥98% , CAS No.79140-20-8

CAS: 79140-20-8 Cat. No.: E404548 Formule: C₁₇H₁₆O₄ Poids moléculaire: 284.31 Numéro CE: 878-651-2

QUALITÉ & PURETÉ ≥98%

Synonyms

2'-hydroxy-3,4-dimethoxychalcone | 3-(3,4-dimethoxyphenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one | MFLSRHQHCDTOGH-VQHVLOKHSA-N | AKOS005177164 | C73661 | (2E)-3-(3,4-dimethoxyphenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one | Chalcone, 9 | TS-01021 | 3,4-Dimethoxy

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Maximum Absorption Wavelength:350(THF)nm

Spécifications

Synonymes

2'-hydroxy-3,4-dimethoxychalcone | 3-(3,4-dimethoxyphenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one | MFLSRHQHCDTOGH-VQHVLOKHSA-N | AKOS005177164 | C73661 | (2E)-3-(3,4-dimethoxyphenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one | Chalcone, 9 | TS-01021 | 3,4-Dimethoxy

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Protected from light,Store at -20°C,Argon charged

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Pubchem Sid

508806601

Sourires canoniques

COC1=C(C=C(C=C1)C=CC(=O)C2=CC=CC=C2O)OC

IUPAC Name

(E)-3-(3,4-dimethoxyphenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one

InChIKey

MFLSRHQHCDTOGH-VQHVLOKHSA-N

INCHI

1S/C17H16O4/c1-20-16-10-8-12(11-17(16)21-2)7-9-15(19)13-5-3-4-6-14(13)18/h3-11,18H,1-2H3/b9-7+

Isomères SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC=CC=C2O)OC

CAS alternatif

19152-36-4

Poids moléculaire

284.31

Reaxy-Rn

1317609

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1317609&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Linear 1,3-diarylpropanoids
      • Subclass Chalcones and dihydrochalcones

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Linear 1,3-diarylpropanoids
• Subclass: Chalcones and dihydrochalcones
• Intermediate Tree Nodes: Not available
• Direct Parent: 2'-Hydroxychalcones
• Alternative Parents: Cinnamylphenols Cinnamic acids and derivatives Dimethoxybenzenes Anisoles Aryl ketones Benzoyl derivatives Styrenes Phenoxy compounds 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Acryloyl compounds Enones Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 2'-hydroxychalcone - Cinnamylphenol - Cinnamic acid or derivatives - Dimethoxybenzene - O-dimethoxybenzene - Anisole - Methoxybenzene - Benzoyl - Phenoxy compound - Phenol ether - Styrene - Aryl ketone - Alkyl aryl ether - Phenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Vinylogous acid - Enone - Acryloyl-group - Alpha,beta-unsaturated ketone - Ketone - Ether - Organic oxide - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 2'-hydroxychalcones. These are organic compounds containing chalcone skeleton that carries a hydroxyl group at the 2'-position.
• 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

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Abcc1 Multidrug resistance-associated protein 1 (42 Activities)

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Abcb1b P-glycoprotein 1 (174 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in Dimethylformamide
• Sensibilité: Air and light sensitive
• Point de fusion (°C): 115 °C
• Poids moléculaire: 284.310 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 284.105 Da
• Monoisotopic Mass: 284.105 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 366.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1