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1-Methylisatin - ≥97% , CAS No.2058-74-4

CAS: 2058-74-4 Cat. No.: M157921 Molecular Weight: 161.16 EC Number: 218-164-9
COA
1-Methylisatin - ≥97% CAS No(2058-74-4) by Aladdin Scientific
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
1-methylindoline-2,3-dione | N-Methylindoline-2,3-dione | SB66082 | NSC42449 | NSC-42449 | EN300-01050 | HY-23148 | N-methyl isatin | 1H-Indole-2, 1-methyl- | Indole-2,3-dione, N-methyl- | N‐methylindol‐2,3‐dione (Compound 2) | 5-21-10-00236 (Beilstein Ha
Storage
Room temperature
Shipped In
Normal
★
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1g
M157921-1g
2

$19.90

$29.90
Save $10.00 (33.44%)
5g
M157921-5g
4

$24.90

$37.90
Save $13.00 (34.30%)
10g
M157921-10g
1

$47.90

$71.90
Save $24.00 (33.38%)
25g
M157921-25g
2

$95.90

$143.90
Save $48.00 (33.36%)
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SDS
Safety data
COA
Certificate
DS
Datasheet
SP
Spec sheet
Overview Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews
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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal 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.

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Literature proof

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

Overview

The interaction between 1-methylisatin and human adult haemoglobin was studied using the circular dichroism (CD) spectroscopic, anisotropy and FTIR investigations.
Reactant for stereoselective preparation of spirobicyclic and bis-spirotricyclic pyrazolidinones . Reactant for regioselective preparation of spirocyclic oxindole-butenolides . Reactant for synthesis of spiro-oxindoles . Reactant for preparation of unsymmetrical oxindoles . Reactant for stereoselective preparation of hydroxyloxindoles via Morita-Baylis-Hillman reaction. Reactant for preparation of pyridinecarboxylic acid [(oxo)indolylidene)hydrazide derivatives (Schiff base hydrazides) as antibacterial agents.

Specifications

Synonyms
1-methylindoline-2, 3-dione | N-Methylindoline-2, 3-dione | SB66082 | NSC42449 | NSC-42449 | EN300-01050 | HY-23148 | N-methyl isatin | 1H-Indole-2, 1-methyl- | Indole-2, 3-dione, N-methyl- | N‐methylindol‐2, 3‐dione (Compound 2) | 5-21-10-00236 (Beilstein Ha
Specifications & Purity
≥97%
Storage
Room temperature
Shipped In
Normal
Purity
≥97%
Names and Identifiers
Pubchem Sid488182237
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488182237
Canonical SmilesCN1C2=CC=CC=C2C(=O)C1=O
IUPAC Name1-methylindole-2,3-dione
InChIKeyVCYBVWFTGAZHGH-UHFFFAOYSA-N
INCHI1S/C9H7NO2/c1-10-7-5-3-2-4-6(7)8(11)9(10)12/h2-5H,1H3
Isomeric SMILES CN1C2=CC=CC=C2C(=O)C1=O
WGK Germany 3
RTECS NL7939000
Molecular Weight 161.16
Reaxy-Rn 128280
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=128280&ln=

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.

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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  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Indole or derivatives - Aryl ketone - Benzenoid - Tertiary carboxylic acid amide - Vinylogous amide - Lactam - Ketone - Carboxamide group - Azacycle - Carboxylic acid derivative - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - 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)
ACHE Tclin Acetylcholinesterase (18204 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CASP3 Tchem Caspase-3 (3632 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
U-937 (7138 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LRRK2 Tchem Leucine-rich repeat serine/threonine-protein kinase 2 (6390 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Ttr Transthyretin (14 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cruzipain (33337 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
protease Human rhinovirus A protease (1343 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALS Acetolactate synthase (354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rhodesain Rhodesain (1463 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Falcipain 2 (539 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:

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

16 results found

Lot NumberCertificate TypeDateItem
K2110234Certificate of AnalysisAug 12, 2025 M157921
K2110235Certificate of AnalysisAug 12, 2025 M157921
D2523127Certificate of AnalysisApr 17, 2024 M157921
D2523152Certificate of AnalysisApr 17, 2024 M157921
D2523153Certificate of AnalysisApr 17, 2024 M157921
F2421371Certificate of AnalysisMar 26, 2024 M157921
D2428402Certificate of AnalysisMar 22, 2024 M157921
D2428403Certificate of AnalysisMar 22, 2024 M157921
K2407524Certificate of AnalysisMar 22, 2024 M157921
B2303389Certificate of AnalysisNov 21, 2022 M157921
B2303459Certificate of AnalysisNov 21, 2022 M157921
B2303460Certificate of AnalysisNov 21, 2022 M157921
B2303461Certificate of AnalysisNov 21, 2022 M157921
B2303474Certificate of AnalysisNov 21, 2022 M157921
B2303475Certificate of AnalysisNov 21, 2022 M157921
C1827021Certificate of AnalysisJan 22, 2022 M157921

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Chemical and Physical Properties
Melt Point(°C)130-133°C
Molecular Weight161.160 g/mol
XLogP30.600
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass161.048 Da
Monoisotopic Mass161.048 Da
Topological Polar Surface Area37.400 Ų
Heavy Atom Count12
Formal Charge0
Complexity237.000
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
Reviews

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