1-Benzylisatin - ≥97%(GC) , CAS No.1217-89-6

CAS: 1217-89-6 Cat. No.: B153062 Molecular Weight: 237.26 EC Number: 833-553-9
AVAILABLE TO ORDER
GRADE & PURITY ≥97%(GC)
Synonyms
1-benzylisatin | F0349-0227 | Z56862402 | 1-benzylindoline-2,3-dione | 1H-indole-2,3-dione, 1-(phenylmethyl)- | SB64135 | BDBM22794 | CCG-103561 | benzylisatin | A8466 | N1-benzyl-indole-2,3-dione | 1-benzylindole-2,3-dione | BRD-K68283214-001-01-6 | SCHE
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
250mg
B153062-250mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$29.90
1g
B153062-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$39.90
5g
B153062-5g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$119.90
25g
B153062-25g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$399.90
Enter a quantity for the sizes you want to add.
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Why this grade

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

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Storage & shipping

Room temperature Ships Normal 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.

📚

Literature proof

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

Specifications

Synonyms
1-benzylisatin | F0349-0227 | Z56862402 | 1-benzylindoline-2, 3-dione | 1H-indole-2, 3-dione, 1-(phenylmethyl)- | SB64135 | BDBM22794 | CCG-103561 | benzylisatin | A8466 | N1-benzyl-indole-2, 3-dione | 1-benzylindole-2, 3-dione | BRD-K68283214-001-01-6 | SCHE
Specifications & Purity
≥97%(GC)
Storage
Room temperature
Shipped In
Normal
Purity
≥97%(GC)
Names and Identifiers
Canonical SmilesC1=CC=C(C=C1)CN2C3=CC=CC=C3C(=O)C2=O
IUPAC Name1-benzylindole-2,3-dione
InChIKeySIISFRLGYDVIRG-UHFFFAOYSA-N
INCHI1S/C15H11NO2/c17-14-12-8-4-5-9-13(12)16(15(14)18)10-11-6-2-1-3-7-11/h1-9H,10H2
Isomeric SMILES C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=O)C2=O
Molecular Weight 237.26
Reaxy-Rn 193615
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=193615&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.

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
ClassIndoles and derivatives
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentIndoles and derivatives
Alternative Parents Aryl ketones  Benzene and substituted derivatives  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 - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Vinylogous amide - Lactam - Ketone - Carboxamide group - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - 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)
CHRM1 Tclin Muscarinic acetylcholine receptor M1 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ALDH1A1 Tchem Retinal dehydrogenase 1 (2 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
CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ACHE Tclin Acetylcholinesterase (18204 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BCHE Tclin Butyrylcholinesterase (7174 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
CES1 Tchem Acyl coenzyme A:cholesterol acyltransferase (1029 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HT-29 (80576 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RPMI-8226 (44974 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
UACC-903 (393 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HCT-116 (91556 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
U-266 (527 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NCI-H929 (451 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MM1.S (1111 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Cruzipain (33337 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.

4 results found

Lot NumberCertificate TypeDateItem
A2630315Certificate of AnalysisDec 04, 2025 B153062
A2630317Certificate of AnalysisDec 04, 2025 B153062
A2630319Certificate of AnalysisDec 04, 2025 B153062
A2630320Certificate of AnalysisDec 04, 2025 B153062
Chemical and Physical Properties
Melt Point(°C)130 °C
Molecular Weight237.250 g/mol
XLogP32.100
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass237.079 Da
Monoisotopic Mass237.079 Da
Topological Polar Surface Area37.400 Ų
Heavy Atom Count18
Formal Charge0
Complexity346.000
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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