1-(4-tolylsulfonyl)indole-3-carboxaldehyde - ≥98% , CAS No.50562-79-3

CAS: 50562-79-3 Cat. No.: T589297 Peso molecular: 299.35
Disponible para pedir
GRADE & PURITY ≥98%
Synonyms
SY081092 | 1-(4-methylphenyl)sulfonyl-3-indolecarboxaldehyde | 1-(4-Tolylsulfonyl)indole-3-carboxaldehyde | 1-tosyl-1H-indole-3-carboxaldehyde | Oprea1_458435 | 1-(4-Methylbenzenesulfonyl)-1H-indole-3-carbaldehyde | 1-Tosyl-1H-indole-3-carbaldehyde | BDBM
Storage
Store at 2-8°C,Argon charged
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
250mg
T589297-250mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
16,90US$
1g
T589297-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
47,90US$
5g
T589297-5g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
162,90US$
Enter a quantity for the sizes you want to add.
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Argon charged Ships Wet ice Check lot-specific COA for exact specifications.

📋

Quality documents

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

📚

Literature proof

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

Specifications

Sinónimos
SY081092 | 1-(4-methylphenyl)sulfonyl-3-indolecarboxaldehyde | 1-(4-Tolylsulfonyl)indole-3-carboxaldehyde | 1-tosyl-1H-indole-3-carboxaldehyde | Oprea1_458435 | 1-(4-Methylbenzenesulfonyl)-1H-indole-3-carbaldehyde | 1-Tosyl-1H-indole-3-carbaldehyde | BDBM
Especificaciones y pureza
≥98%
Condiciones de almacenamiento de almacenamiento
Store at 2-8°C, Argon charged
Enviado en
Wet ice
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Pureza
≥98%
Nombres e identificadores
Sonrisas canónicasCC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C=O
IUPAC Name1-(4-methylphenyl)sulfonylindole-3-carbaldehyde
InChIKeyOIPHRFQIBIQGJF-UHFFFAOYSA-N
INCHI1S/C16H13NO3S/c1-12-6-8-14(9-7-12)21(19,20)17-10-13(11-18)15-4-2-3-5-16(15)17/h2-11H,1H3
Isómeros SMILES CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C=O
Peso molecular 299.35

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.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClaseBenzene and substituted derivatives
SubclassBenzenesulfonamides
Intermediate Tree Nodes Not available
Direct ParentBenzenesulfonamides
Alternative Parents Tosyl compounds  Indoles  Benzenesulfonyl compounds  Aryl-aldehydes  Substituted pyrroles  Vinylogous amides  Sulfonyls  Organosulfonic acids and derivatives  Heteroaromatic compounds  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Benzenesulfonamide - Tosyl compound - Indole - Indole or derivatives - Benzenesulfonyl group - Toluene - Aryl-aldehyde - Substituted pyrrole - Pyrrole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Heteroaromatic compound - Vinylogous amide - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxide - Aldehyde - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organopnictogen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
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Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PTH1R Tclin Parathyroid hormone receptor (47172 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
UBE2N Tchem Ubiquitin-conjugating enzyme E2 N (1570 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BCL2A1 Tchem Bcl-2-related protein A1 (291 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RAPGEF3 Tchem Rap guanine nucleotide exchange factor 3 (15528 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:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot NumberCertificate TypeFechaArticulo
A2607387Certificate of AnalysisNov 07, 2025 T589297
A2607388Certificate of AnalysisNov 07, 2025 T589297
A2607389Certificate of AnalysisNov 07, 2025 T589297
Propiedades químicas y físicas
Sensibilidadair sensitive
Punto de ebullición (°C)517 °C at 760 mmHg
Punto de fusión (°C)138 °C
Peso molecular299.300 g/mol
XLogP33.100
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass299.062 Da
Monoisotopic Mass299.062 Da
Topological Polar Surface Area64.500 Ų
Heavy Atom Count21
Formal Charge0
Complexity476.000
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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