2-(3-Phenyl-1,2,4-oxadiazol-5-yl)phenol , CAS No.79349-24-9

CAS: 79349-24-9 Cat. No.: P668507 Peso molecular: 238.24 Número EC: 868-490-6 PubChem CID: 779192
Disponible para pedir
Synonyms
2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenol | 5-(2-hydroxyphenyl)-3-phenyl-1,2,4-oxadiazole | Phenol, 2-(3-phenyl-1,2,4-oxadiazol-5-yl)- | ChemDiv3_002096 | Cambridge id 5347279 | DTXSID60425235 | VNCIJMRFIRKERM-UHFFFAOYSA-N | HMS1478P06 | BDBM50576851 | CCG-
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1mg
P668507-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

571,90US$

999,90US$
Guardar 428,00 US$ (42.80%)
5mg
P668507-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

1.999,90US$

2.999,90US$
Guardar 1.000,00 US$ (33.33%)
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
2-(3-phenyl-1, 2, 4-oxadiazol-5-yl)phenol | 5-(2-hydroxyphenyl)-3-phenyl-1, 2, 4-oxadiazole | Phenol, 2-(3-phenyl-1, 2, 4-oxadiazol-5-yl)- | ChemDiv3_002096 | Cambridge id 5347279 | DTXSID60425235 | VNCIJMRFIRKERM-UHFFFAOYSA-N | HMS1478P06 | BDBM50576851 | CCG-
Condiciones de almacenamiento de almacenamiento
Room temperature
Propiedades del producto
ALogP3.1
Nombres e identificadores
Sonrisas canónicasC1=CC=C(C=C1)C2=NOC(=N2)C3=CC=CC=C3O
IUPAC Name2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenol
InChIKeyVNCIJMRFIRKERM-UHFFFAOYSA-N
INCHI1S/C14H10N2O2/c17-12-9-5-4-8-11(12)14-15-13(16-18-14)10-6-2-1-3-7-10/h1-9,17H
Isómeros SMILES C1=CC=C(C=C1)C2=NOC(=N2)C3=CC=CC=C3O
PubChem CID 779192
Peso molecular 238.24

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClaseAzoles
SubclassOxadiazoles
Intermediate Tree Nodes 1,2,4-oxadiazoles
Direct ParentPhenyloxadiazoles
Alternative Parents 1-hydroxy-4-unsubstituted benzenoids  1-hydroxy-2-unsubstituted benzenoids  Benzene and substituted derivatives  Heteroaromatic compounds  Oxacyclic compounds  Azacyclic compounds  Organooxygen compounds  Organonitrogen compounds  Hydrocarbon derivatives  Organic anions  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Phenyl-1,2,4-oxadiazole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azacycle - Oxacycle - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic anion - Aromatic heteromonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as phenyloxadiazoles. These are polycyclic aromatic compounds containing a benzene ring linked to a 1,2,4-oxadiazole ring through a CC or CN bond.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
CHUK Tchem Inhibitor of nuclear factor kappa-B kinase subunit alpha (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
TXNRD1 Tclin Thioredoxin reductase 1, cytoplasmic (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
NOX4 Tchem NADPH oxidase 4 (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
TXNRD1 Tclin Thioredoxin reductase 1 (99 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CASP3 Tchem Caspase-3 (3632 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CHUK Tchem Inhibitor of nuclear factor kappa B kinase alpha subunit (3170 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Caco-2 (12174 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
WI-38 (2654 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MDA-MB-231 (73002 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NOX4 Tchem NADPH oxidase 4 (333 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SENP8 Tchem Sentrin-specific protease 8 (1687 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SENP7 Tchem Sentrin-specific protease 7 (1073 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Peso molecular238.240 g/mol
XLogP33.100
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass238.074 Da
Monoisotopic Mass238.074 Da
Topological Polar Surface Area59.200 Ų
Heavy Atom Count18
Formal Charge0
Complexity269.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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