5-chloro-1-(2-phenylethyl)-1H-indole-2,3-dione - ≥95% , CAS No.356075-69-9

CAS: 356075-69-9 Cat. No.: C668771 Molecular Weight: 285.72 PubChem CID: 2930041
AVAILABLE TO ORDER
GRADE & PURITY ≥95%
Synonyms
5-chloro-1-(2-phenylethyl)-1H-indole-2,3-dione | 5-chloro-1-(2-phenylethyl)-2,3-dihydro-1H-indole-2,3-dione | Cambridge id 7196590 | LCVZSSKWPJEOMX-UHFFFAOYSA-N | DTXSID201249140 | BDBM50448803 | STK394571 | AKOS000246020 | CCG-114217 | 5-chloro-1-pheneth
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1mg
C668771-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$289.90
5mg
C668771-5mg
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$699.90
25mg
C668771-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$1,499.90
100mg
C668771-100mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$2,399.90
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Why this grade

≥95% 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.

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Literature proof

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

Specifications

Synonyms
5-chloro-1-(2-phenylethyl)-1H-indole-2, 3-dione | 5-chloro-1-(2-phenylethyl)-2, 3-dihydro-1H-indole-2, 3-dione | Cambridge id 7196590 | LCVZSSKWPJEOMX-UHFFFAOYSA-N | DTXSID201249140 | BDBM50448803 | STK394571 | AKOS000246020 | CCG-114217 | 5-chloro-1-pheneth
Specifications & Purity
≥95%
Storage
Room temperature
Shipped In
Normal
Purity
≥95%
Product Properties
ALogP3.5
Names and Identifiers
Canonical SmilesC1=CC=C(C=C1)CCN2C3=C(C=C(C=C3)Cl)C(=O)C2=O
IUPAC Name5-chloro-1-(2-phenylethyl)indole-2,3-dione
InChIKeyLCVZSSKWPJEOMX-UHFFFAOYSA-N
INCHI1S/C16H12ClNO2/c17-12-6-7-14-13(10-12)15(19)16(20)18(14)9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2
Isomeric SMILES C1=CC=C(C=C1)CCN2C3=C(C=C(C=C3)Cl)C(=O)C2=O
PubChem CID 2930041
Molecular Weight 285.72

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.

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  Aryl chlorides  Vinylogous amides  Tertiary carboxylic acid amides  Lactams  Azacyclic compounds  Organopnictogen 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 - Vinylogous amide - Tertiary carboxylic acid amide - Carboxamide group - Ketone - Lactam - Carboxylic acid derivative - Azacycle - Organohalogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organochloride - Organonitrogen compound - 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)
ALDH1A1 Tchem Retinal dehydrogenase 1 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ALDH2 Tclin Aldehyde dehydrogenase, mitochondrial (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
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 Weight285.720 g/mol
XLogP33.500
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass285.056 Da
Monoisotopic Mass285.056 Da
Topological Polar Surface Area37.400 Ų
Heavy Atom Count20
Formal Charge0
Complexity392.000
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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