WYE-176234 - ≥95% , CAS No.201284-86-8

CAS: 201284-86-8 Cat. No.: W417986 Summenformel: C₁₇H₁₈O₄ Molekulargewicht: 286.32 PubChem CID: 679582

GRADE & PURITY ≥95%

Synonyms

1-(2,4-Dihydroxyphenyl)-2-(4-isopropylphenoxy)ethanone

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

antivirulence agent; antimalarial HDP inhibitor;

Specifications

Synonyme

1-(2,4-Dihydroxyphenyl)-2-(4-isopropylphenoxy)ethanone

Spezifikationen & Reinheit

≥95%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Produkteigenschaften

ALogP

3.779

HBD-Zahl

2

Rotationsfähige Bindung

5

Namen und Kennungen

Pubchem Sid

504759841

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504759841

Kanonisches Lächeln

CC(C)C1=CC=C(C=C1)OCC(=O)C2=C(C=C(C=C2)O)O

IUPAC Name

1-(2,4-dihydroxyphenyl)-2-(4-propan-2-ylphenoxy)ethanone

InChIKey

QJGSIWBOOHBIIP-UHFFFAOYSA-N

INCHI

1S/C17H18O4/c1-11(2)12-3-6-14(7-4-12)21-10-17(20)15-8-5-13(18)9-16(15)19/h3-9,11,18-19H,10H2,1-2H3

Isomere SMILES

CC(C)C1=CC=C(C=C1)OCC(=O)C2=C(C=C(C=C2)O)O

PubChem CID

679582

Molekulargewicht

286.32

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds
        • Ebene5 Ketones
          • Ebene6 Aryl ketones
            • Ebene7 Phenylketones
              • Ebene8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Phenylpropanes Cumenes Resorcinols Phenoxy compounds Phenol ethers Benzoyl derivatives Aryl alkyl ketones Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Cumene - Phenylpropane - Benzoyl - Phenoxy compound - Phenol ether - Resorcinol - Aryl alkyl ketone - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - Ether - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• DMSO (mM) Maximale Löslichkeit: 10
• Molekulargewicht: 286.320 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 286.121 Da
• Monoisotopic Mass: 286.121 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 334.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥95% 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 201284-86-8, the molecular formula is C17H18O4, and the molecular weight is 286.32 g/mol. InChIKey QJGSIWBOOHBIIP-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.