1-(2-bromoethyl)-1H-indole-2,3-dione , CAS No.4290-78-2

CAS: 4290-78-2 Cat. No.: B668833 Molecular Weight: 254.08 PubChem CID: 3542734
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Synonyms
1-(2-bromoethyl)-1H-indole-2,3-dione | 1-(2-Bromoethyl)indoline-2,3-dione | 1-(2-bromoethyl)indole-2,3-dione | 1-(2-bromoethyl)-2,3-dihydro-1H-indole-2,3-dione | 1-(2-bromoethyl)isatin | Isatin-based compound, 5 | BDBM22785 | DTXSID90393478 | SJALPCXFOSGN
Storage
Room temperature
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Size
Status
Price
Qty
1mg
B668833-1mg
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$571.90

$999.90
Save $428.00 (42.80%)
5mg
B668833-5mg
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$1,999.90

$2,999.90
Save $1,000.00 (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

Synonyms
1-(2-bromoethyl)-1H-indole-2, 3-dione | 1-(2-Bromoethyl)indoline-2, 3-dione | 1-(2-bromoethyl)indole-2, 3-dione | 1-(2-bromoethyl)-2, 3-dihydro-1H-indole-2, 3-dione | 1-(2-bromoethyl)isatin | Isatin-based compound, 5 | BDBM22785 | DTXSID90393478 | SJALPCXFOSGN
Storage
Room temperature
Product Properties
ALogP1.3
Names and Identifiers
Canonical SmilesC1=CC=C2C(=C1)C(=O)C(=O)N2CCBr
IUPAC Name1-(2-bromoethyl)indole-2,3-dione
InChIKeySJALPCXFOSGNST-UHFFFAOYSA-N
INCHI1S/C10H8BrNO2/c11-5-6-12-8-4-2-1-3-7(8)9(13)10(12)14/h1-4H,5-6H2
Isomeric SMILES C1=CC=C2C(=C1)C(=O)C(=O)N2CCBr
PubChem CID 3542734
Molecular Weight 254.08

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
ClassIndoles and derivatives
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentIndoles and derivatives
Alternative Parents Aryl ketones  Benzenoids  Vinylogous amides  Tertiary carboxylic acid amides  Lactams  Azacyclic compounds  Organonitrogen compounds  Organobromides  Organic oxides  Hydrocarbon derivatives  Alkyl bromides  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Indole or derivatives - Aryl ketone - Benzenoid - Tertiary carboxylic acid amide - Vinylogous amide - Carboxamide group - Ketone - Lactam - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl bromide - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Alkyl halide - Aromatic heteropolycyclic compound
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
CES1 Tchem Liver carboxylesterase 1 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ACHE Tclin Acetylcholinesterase (18204 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BCHE Tclin Butyrylcholinesterase (7174 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CES1 Tchem Acyl coenzyme A:cholesterol acyltransferase (1029 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
THP-1 (11052 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A549 (127892 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HEp-2 (3859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HCT-15 (51914 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Escherichia coli (133304 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mycobacterium tuberculosis (203094 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Saccharomyces cerevisiae (19171 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Entamoeba histolytica (2676 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Trichomonas vaginalis (2376 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Giardia intestinalis (1290 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Aspergillus parasiticus (296 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Lacticaseibacillus rhamnosus (75 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Naegleria fowleri (62 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Lactobacillus acidophilus (76 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight254.080 g/mol
XLogP31.300
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass252.974 Da
Monoisotopic Mass252.974 Da
Topological Polar Surface Area37.400 Ų
Heavy Atom Count14
Formal Charge0
Complexity267.000
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
Solution Calculators
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