2-(Phenylethynyl)-7,8-dihydroquinolin-5(6H)-one , CAS No.864224-08-8

CAS: 864224-08-8 Cat. No.: P669135 Peso molecular: 247.29 PubChem CID: 11379626
Disponible para pedir
Synonyms
2-(PHENYLETHYNYL)-7,8-DIHYDROQUINOLIN-5(6H)-ONE | 2-(2-phenylethynyl)-7,8-dihydro-6H-quinolin-5-one | 2-phenylethynyl-7,8-dihydro-6H-quinolin-5-one | DTXSID10464098 | XOUDFZJCSDKXLG-UHFFFAOYSA-N | AMY26023 | BDBM50231741 | AKOS025146642 | AS-41243 | PD180
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1mg
P669135-1mg
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
P669135-5mg
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-(PHENYLETHYNYL)-7, 8-DIHYDROQUINOLIN-5(6H)-ONE | 2-(2-phenylethynyl)-7, 8-dihydro-6H-quinolin-5-one | 2-phenylethynyl-7, 8-dihydro-6H-quinolin-5-one | DTXSID10464098 | XOUDFZJCSDKXLG-UHFFFAOYSA-N | AMY26023 | BDBM50231741 | AKOS025146642 | AS-41243 | PD180
Condiciones de almacenamiento de almacenamiento
Room temperature
Propiedades del producto
ALogP3
Nombres e identificadores
Sonrisas canónicasC1CC2=C(C=CC(=N2)C#CC3=CC=CC=C3)C(=O)C1
IUPAC Name2-(2-phenylethynyl)-7,8-dihydro-6H-quinolin-5-one
InChIKeyXOUDFZJCSDKXLG-UHFFFAOYSA-N
INCHI1S/C17H13NO/c19-17-8-4-7-16-15(17)12-11-14(18-16)10-9-13-5-2-1-3-6-13/h1-3,5-6,11-12H,4,7-8H2
Isómeros SMILES C1CC2=C(C=CC(=N2)C#CC3=CC=CC=C3)C(=O)C1
PubChem CID 11379626
Peso molecular 247.29

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.

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📊 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
ClaseQuinolines and derivatives
SubclassQuinolones and derivatives
Intermediate Tree Nodes Not available
Direct ParentHydroquinolones
Alternative Parents Hydroquinolines  Aryl alkyl ketones  Pyridines and derivatives  Benzene and substituted derivatives  Heteroaromatic compounds  Azacyclic compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Tetrahydroquinolone - Tetrahydroquinoline - Aryl ketone - Aryl alkyl ketone - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Ketone - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as hydroquinolones. These are compounds containing a hydrogenated quinoline bearing a ketone group.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
GRM5 Tchem Metabotropic glutamate receptor 5 (3 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
GRM5 Tchem Metabotropic glutamate receptor 5 (5733 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 molecular247.290 g/mol
XLogP33.000
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass247.1 Da
Monoisotopic Mass247.1 Da
Topological Polar Surface Area30.000 Ų
Heavy Atom Count19
Formal Charge0
Complexity396.000
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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