WAY-649123 - ≥98% , CAS No.801244-46-2

CAS: 801244-46-2 Cat. No.: W418258 Fórmula: C₂₁H₁₈N₄ Peso molecular: 326.39442 PubChem CID: 3456160

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

preventive and therapeutic effect for diabetes and obesity; TGF-β inhibitors; TGF-b and/or p38-a kinase inhibitors;

Specifications

Especificaciones y pureza

≥98%

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.

Pureza

≥98%

Propiedades del producto

ALogP

4.252

Recuento HBD

1

Enlace rotable

5

Nombres e identificadores

Pubchem Sid

488194406

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488194406

Sonrisas canónicas

C1COC2=C(O1)C=CC(=C2)CC(=O)NC3=C(C=C(C=C3)F)F

IUPAC Name

N-(2,4-difluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

InChIKey

RTUZYSXIQPAXEX-UHFFFAOYSA-N

INCHI

1S/C16H13F2NO3/c17-11-2-3-13(12(18)9-11)19-16(20)8-10-1-4-14-15(7-10)22-6-5-21-14/h1-4,7,9H,5-6,8H2,(H,19,20)

Isómeros SMILES

C1COC2=C(O1)C=CC(=C2)CC(=O)NC3=C(C=C(C=C3)F)F

PubChem CID

3456160

Peso molecular

326.39442

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzodioxanes
      • Subclass Benzo-1,4-dioxanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzodioxanes
• Subclass: Benzo-1,4-dioxanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzo-1,4-dioxanes
• Alternative Parents: Anilides N-arylamides Fluorobenzenes Alkyl aryl ethers Para dioxins Aryl fluorides Secondary carboxylic acid amides Oxacyclic compounds Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzo-1,4-dioxane - Anilide - N-arylamide - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Para-dioxin - Secondary carboxylic acid amide - Carboxamide group - Oxacycle - Carboxylic acid derivative - Ether - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzo-1,4-dioxanes. These are heterocyclic compounds containing a benzene ring fused to a 1,4-dioxane ring.
• 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

Propiedades químicas y físicas

• DMSO (mM) Solubilidad máxima: 10
• Peso molecular: 305.280 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 305.086 Da
• Monoisotopic Mass: 305.086 Da
• Topological Polar Surface Area: 47.600 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 396.000
• 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