Naringenin triacetate - ≥99% , CAS No.3682-04-0

CAS: 3682-04-0 Cat. No.: N650633 Formula: C₂₁H₁₈O₈ Peso molecolare: 398.36 PubChem CID: 14354984

GRADE & PURITY ≥99%

Synonyms

[4-(5,7-diacetyloxy-4-oxo-2,3-dihydrochromen-2-yl)phenyl] acetate | DTXSID50559290 | HQZXCNZZVRAEPO-UHFFFAOYSA-N | AKOS022184613 | 2-[4-(Acetyloxy)phenyl]-4-oxo-3,4-dihydro-2H-1-benzopyran-5,7-diyl diacetate | 4',5,7-Triacetoxyflavanone | Naringenin triac

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Panoramica

Naringenin triacetate is a flavonoid isolated from plant, exhibits a good binding affinity with multiple crystal structures of first bromodomain BRD4 (BRD4 BD1).

Form:Solid

Specifications

Sinonimi

[4-(5,7-diacetyloxy-4-oxo-2,3-dihydrochromen-2-yl)phenyl] acetate | DTXSID50559290 | HQZXCNZZVRAEPO-UHFFFAOYSA-N | AKOS022184613 | 2-[4-(Acetyloxy)phenyl]-4-oxo-3,4-dihydro-2H-1-benzopyran-5,7-diyl diacetate | 4',5,7-Triacetoxyflavanone | Naringenin triac

Specifiche e purezza

≥99%

Meccanismi biochimici e fisiologici

Naringenin triacetate is a flavonoid isolated from plant, exhibits a good binding affinity with multiple crystal structures of first bromodomain BRD4 (BRD4 BD1).

Condizioni di conservazione di stoccaggio

Protected from light,Store at -80°C

Spedito in

Dry ice packs + Cold packs

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

Purezza

≥99%

Nomi e identificatori

Sorrisi canonici

CC(=O)OC1=CC=C(C=C1)C2CC(=O)C3=C(O2)C=C(C=C3OC(=O)C)OC(=O)C

IUPAC Name

[4-(5,7-diacetyloxy-4-oxo-2,3-dihydrochromen-2-yl)phenyl] acetate

InChIKey

HQZXCNZZVRAEPO-UHFFFAOYSA-N

INCHI

1S/C21H18O8/c1-11(22)26-15-6-4-14(5-7-15)18-10-17(25)21-19(28-13(3)24)8-16(27-12(2)23)9-20(21)29-18/h4-9,18H,10H2,1-3H3

Isomeri SMILES

CC(=O)OC1=CC=C(C=C1)C2CC(=O)C3=C(O2)C=C(C=C3OC(=O)C)OC(=O)C

CAS alternativo

73111-01-0

PubChem CID

14354984

Peso molecolare

398.36

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Flavonoids
• Subclass: Flavans
• Intermediate Tree Nodes: Not available
• Direct Parent: Flavanones
• Alternative Parents: Chromones Phenol esters Tricarboxylic acids and derivatives Phenoxy compounds Aryl alkyl ketones Alkyl aryl ethers Carboxylic acid esters Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Flavanone - Chromone - Chromane - Benzopyran - 1-benzopyran - Phenol ester - Tricarboxylic acid or derivatives - Phenoxy compound - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Carboxylic acid ester - Ketone - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Carbonyl group - Organic oxygen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as flavanones. These are compounds containing a flavan-3-one moiety, with a structure characterized by a 2-phenyl-3,4-dihydro-2H-1-benzopyran bearing a ketone at the carbon C3.
• 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

Proprietà chimiche e fisiche

• Solubilità: DMSO : 100 mg/mL (251.03 mM; Need ultrasonic)
• Peso molecolare: 398.400 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 398.1 Da
• Monoisotopic Mass: 398.1 Da
• Topological Polar Surface Area: 105.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 651.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Domande frequenti

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?80 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships frozen with dry ice and cold packs. Unpack on arrival and transfer it to the storage condition stated above; handle dry ice with insulated gloves in a ventilated area.

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

The CAS Number is 3682-04-0, the molecular formula is C21H18O8, and the molecular weight is 398.36 g/mol. InChIKey HQZXCNZZVRAEPO-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.