4-(4-Hydroxyanilino)phenol - Moligand™,≥99% , CAS No.1752-24-5

CAS: 1752-24-5 Cat. No.: A694460 Summenformel: C₁₂H₁₁NO₂ Molekulargewicht: 201.22 PubChem CID: 74461

GRADE & PURITY Moligand™, ≥99%

Synonyms

4,4'-Iminodiphenol | 4,4'-Azanediyldiphenol | 4,4'-Iminobis[phenol] | 4,4'-Dihydroxydiphenylamine | 4,4'-Iminobisphenol | Bis(4-hydroxyphenyl)amine | Bis(p-hydroxyphenyl)amine | N-(4'-Hydroxyphenyl)-p-aminophenol | Paracetamol Imp. M (EP)

Storage

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

Shipped In

Wet ice

Übersicht

4-(4-Hydroxyanilino)phenol is an inactive estrogen receptor ligand based on the diphenylamine skeleton.

Specifications

Synonyme

4,4'-Iminodiphenol | 4,4'-Azanediyldiphenol | 4,4'-Iminobis[phenol] | 4,4'-Dihydroxydiphenylamine | 4,4'-Iminobisphenol | Bis(4-hydroxyphenyl)amine | Bis(p-hydroxyphenyl)amine | N-(4'-Hydroxyphenyl)-p-aminophenol | Paracetamol Imp. M (EP)

Spezifikationen & Reinheit

Moligand™,≥99%

Storage

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

Verschickt in

Wet ice

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

Note

Moligand™

Aktionsart

ANTAGONIST

Reinheit

≥99%

Namen und Kennungen

• Kanonisches Lächeln: C1=CC(=CC=C1NC2=CC=C(C=C2)O)O
• IUPAC Name: 4-(4-hydroxyanilino)phenol
• InChIKey: YRUPBAWWCPVHFT-UHFFFAOYSA-N
• INCHI: 1S/C12H11NO2/c14-11-5-1-9(2-6-11)13-10-3-7-12(15)8-4-10/h1-8,13-15H
• Isomere SMILES: C1=CC(=CC=C1NC2=CC=C(C=C2)O)O
• PubChem CID: 74461
• Molekulargewicht: 201.22

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: p-Aminophenols 1-hydroxy-2-unsubstituted benzenoids Secondary amines Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: P-aminophenol - Aniline or substituted anilines - Aminophenol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Secondary amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
• 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

Zugehörige Ziele (menschlich)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ESR2 Tclin Estrogen receptor beta (9272 Activities)

Discover Target: ESR2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 201.220 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 201.079 Da
• Monoisotopic Mass: 201.079 Da
• Topological Polar Surface Area: 52.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 162.000
• 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