6-[(5-Chloro-3-methyl-1-benzofuran-2-YL)sulfonyl]pyridazin-3(2H)-one , CAS No.463976-07-0

CAS: 463976-07-0 Cat. No.: C668963 Peso molecular: 324.74 PubChem CID: 6420118
Disponible para pedir
Synonyms
CP-744809 | ARI-809 | 6-[(5-CHLORO-3-METHYL-1-BENZOFURAN-2-YL)SULFONYL]PYRIDAZIN-3(2H)-ONE | 3(2H)-Pyridazinone, 6-((5-chloro-3-methyl-2-benzofuranyl)sulfonyl)- | 62P | U63F8E95J1 | 6-(5-Chloro-3-methylbenzofuran-2-sulfonyl)-2H-pyridazin-3-one | 6-(5-Chlo
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1mg
C668963-1mg
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
C668963-5mg
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
CP-744809 | ARI-809 | 6-[(5-CHLORO-3-METHYL-1-BENZOFURAN-2-YL)SULFONYL]PYRIDAZIN-3(2H)-ONE | 3(2H)-Pyridazinone, 6-((5-chloro-3-methyl-2-benzofuranyl)sulfonyl)- | 62P | U63F8E95J1 | 6-(5-Chloro-3-methylbenzofuran-2-sulfonyl)-2H-pyridazin-3-one | 6-(5-Chlo
Condiciones de almacenamiento de almacenamiento
Room temperature
Propiedades del producto
ALogP2.2
Nombres e identificadores
Sonrisas canónicasCC1=C(OC2=C1C=C(C=C2)Cl)S(=O)(=O)C3=NNC(=O)C=C3
IUPAC Name3-[(5-chloro-3-methyl-1-benzofuran-2-yl)sulfonyl]-1H-pyridazin-6-one
InChIKeyFXFPQPNUMWQRAO-UHFFFAOYSA-N
INCHI1S/C13H9ClN2O4S/c1-7-9-6-8(14)2-3-10(9)20-13(7)21(18,19)12-5-4-11(17)15-16-12/h2-6H,1H3,(H,15,17)
Isómeros SMILES CC1=C(OC2=C1C=C(C=C2)Cl)S(=O)(=O)C3=NNC(=O)C=C3
PubChem CID 6420118
Peso molecular 324.74

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.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClaseBenzofurans
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentBenzofurans
Alternative Parents Pyridazinones  Benzenoids  Aryl chlorides  Sulfones  Heteroaromatic compounds  Furans  Lactams  Oxacyclic compounds  Azacyclic compounds  Organopnictogen compounds  Organooxygen compounds  Organonitrogen compounds  Organochlorides  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Benzofuran - Pyridazinone - Aryl chloride - Aryl halide - Pyridazine - Benzenoid - Furan - Sulfone - Sulfonyl - Heteroaromatic compound - Lactam - Azacycle - Oxacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom.
External Descriptors sulfone - organochlorine compound - 1-benzofurans - pyridazines
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
AKR1B1 Tclin Aldose reductase (4 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
AKR1B1 Tclin Aldose reductase (1404 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 molecular324.740 g/mol
XLogP32.200
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass323.997 Da
Monoisotopic Mass323.997 Da
Topological Polar Surface Area97.100 Ų
Heavy Atom Count21
Formal Charge0
Complexity610.000
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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