Fraxinol - Moligand™,≥98% , CAS No.486-28-2

CAS: 486-28-2 Cat. No.: F708473 Fórmula: C₁₁H₁₀O₅ Peso molecular: 222.19 Número CE: 110-078-9

GRAU & PUREZA Moligand™, ≥98%

Synonyms

6-Hydroxy-5,7-dimethoxy-2H-chromen-2-one | 6-Hydroxy 5,7-dimethoxycoumarin

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Especificações

Sinónimos

6-Hydroxy-5,7-dimethoxy-2H-chromen-2-one | 6-Hydroxy 5,7-dimethoxycoumarin

Especificações e pureza

Moligand™, ≥98%

Condições de armazenamento de armazenamento

Store at 2-8°C,Protected from light,Desiccated

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Moligand™

Tipo de ação

INHIBITOR

Pureza

≥98%

Nomes e identificadores

Sorrisos canónicos

COC1=C(C(=C2C=CC(=O)OC2=C1)OC)O

IUPAC Name

6-hydroxy-5,7-dimethoxychromen-2-one

InChIKey

PBPNOAHYDPHKFH-UHFFFAOYSA-N

INCHI

1S/C11H10O5/c1-14-8-5-7-6(3-4-9(12)16-7)11(15-2)10(8)13/h3-5,13H,1-2H3

SMILES isoméricas

COC1=C(C(=C2C=CC(=O)OC2=C1)OC)O

CAS alternativo

486-28-2

Peso molecular

222.19

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Coumarins and derivatives
      • Subclass Hydroxycoumarins

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Coumarins and derivatives
• Subclass: Hydroxycoumarins
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxycoumarins
• Alternative Parents: 1-benzopyrans Anisoles Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Hydroxycoumarin - Benzopyran - 1-benzopyran - Anisole - Alkyl aryl ether - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Lactone - Ether - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to the coumarin skeleton.
• 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

Mecanismos de ação

Propriedades químicas e físicas

• Sensibilidade: Moisture sensitive；Light sensitive
• Peso molecular: 222.190 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 222.053 Da
• Monoisotopic Mass: 222.053 Da
• Topological Polar Surface Area: 65.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 301.000
• 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