1-benzyl-5-chloro-2,3-dihydro-1H-indole-2,3-dione , CAS No.26960-68-9

CAS: 26960-68-9 Cat. No.: B668840 Peso molecular: 271.7 PubChem CID: 3704739
Disponible para pedir
Synonyms
1-benzyl-5-chloro-1H-indole-2,3-dione | 1-benzyl-5-chloro-2,3-dihydro-1H-indole-2,3-dione | 1-benzyl-5-chloroindole-2,3-dione | 1-benzyl-5-chloroindoline-2,3-dione | CCPOUFJZMAONLI-UHFFFAOYSA-N | BBA96068 | BDBM50133625 | MFCD02315132 | STK394567 | AKOS00
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1mg
B668840-1mg
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
B668840-5mg
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
1-benzyl-5-chloro-1H-indole-2, 3-dione | 1-benzyl-5-chloro-2, 3-dihydro-1H-indole-2, 3-dione | 1-benzyl-5-chloroindole-2, 3-dione | 1-benzyl-5-chloroindoline-2, 3-dione | CCPOUFJZMAONLI-UHFFFAOYSA-N | BBA96068 | BDBM50133625 | MFCD02315132 | STK394567 | AKOS00
Condiciones de almacenamiento de almacenamiento
Room temperature
Propiedades del producto
ALogP3
Nombres e identificadores
Sonrisas canónicasC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)C(=O)C2=O
IUPAC Name1-benzyl-5-chloroindole-2,3-dione
InChIKeyCCPOUFJZMAONLI-UHFFFAOYSA-N
INCHI1S/C15H10ClNO2/c16-11-6-7-13-12(8-11)14(18)15(19)17(13)9-10-4-2-1-3-5-10/h1-8H,9H2
Isómeros SMILES C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)C(=O)C2=O
PubChem CID 3704739
Peso molecular 271.7

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.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClaseIndoles and derivatives
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentIndoles and derivatives
Alternative Parents Aryl ketones  Benzene and substituted derivatives  Aryl chlorides  Vinylogous amides  Tertiary carboxylic acid amides  Lactams  Azacyclic compounds  Organonitrogen compounds  Organochlorides  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Indole or derivatives - Aryl ketone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Vinylogous amide - Carboxamide group - Ketone - Lactam - Carboxylic acid derivative - Azacycle - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as indoles and derivatives. These are organic compounds containing an indole, which is a bicyclic ring system made up of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
ALDH1A1 Tchem Retinal dehydrogenase 1 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ALDH2 Tclin Aldehyde dehydrogenase (509 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALDH3A1 Tchem Aldehyde dehydrogenase dimeric NADP-preferring (307 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Cruzipain (33337 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 molecular271.700 g/mol
XLogP33.000
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass271.04 Da
Monoisotopic Mass271.04 Da
Topological Polar Surface Area37.400 Ų
Heavy Atom Count19
Formal Charge0
Complexity378.000
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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