WAY-357919 - ≥98% , CAS No.298207-77-9

CAS: 298207-77-9 Cat. No.: W418158 Formule: C₁₈H₁₆N₂O₂S Poids moléculaire: 324.40 Numéro CE: 159-017-8 PubChem CID: 722913

GRADE & PURITY ≥98%

Synonyms

1-(3-((5,6,7,8-Tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)oxy)phenyl)ethan-1-one

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

inhibitor of vascular endothelial growth factor receptor-2

Specifications

Synonymes

1-(3-((5,6,7,8-Tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)oxy)phenyl)ethan-1-one

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at -20°C

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%

Propriétés du produit

• ALogP: 4.334
• Liaison rotative: 3

Noms et identifiants

• Pubchem Sid: 488191257
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191257
• Sourires canoniques: CC(=O)C1=CC(=CC=C1)OC2=C3C4=C(CCCC4)SC3=NC=N2
• IUPAC Name: 1-[3-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yloxy)phenyl]ethanone
• InChIKey: STAQHFQLHGDVFW-UHFFFAOYSA-N
• INCHI: 1S/C18H16N2O2S/c1-11(21)12-5-4-6-13(9-12)22-17-16-14-7-2-3-8-15(14)23-18(16)20-10-19-17/h4-6,9-10H,2-3,7-8H2,1H3
• Isomères SMILES: CC(=O)C1=CC(=CC=C1)OC2=C3C4=C(CCCC4)SC3=NC=N2
• PubChem CID: 722913
• Poids moléculaire: 324.40

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Diarylethers Thienopyrimidines Acetophenones Phenoxy compounds Phenol ethers Benzoyl derivatives Aryl alkyl ketones Pyrimidines and pyrimidine derivatives Thiophenes Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alkyl-phenylketone - Diaryl ether - Acetophenone - Thienopyrimidine - Phenoxy compound - Benzoyl - Phenol ether - Aryl alkyl ketone - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Thiophene - Ether - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
• 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

Mécanismes d'action

Propriétés chimiques et physiques

• DMSO (mM) Solubilité maximale: 10
• Poids moléculaire: 324.400 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 324.093 Da
• Monoisotopic Mass: 324.093 Da
• Topological Polar Surface Area: 80.300 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 447.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 298207-77-9, the molecular formula is C18H16N2O2S, and the molecular weight is 324.40 g/mol. InChIKey STAQHFQLHGDVFW-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.