4-Chloro-2-(imidazolin-2-yl)isoindoline , CAS No.C668051

CAS: C668051 Cat. No.: C668051 Peso molecular: 221.68
Disponible para pedir
Synonyms
4-Chloro-2-(imidazolin-2-yl)isoindoline | RS-45041-190 | 4-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dihydroisoindole | RS 45041 | Tocris-0889 | RS 45041-190 | CHEBI:92457 | DTXSID90168789 | 4-CHLORO-2-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)ISOINDOLINE | MB11276
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1mg
C668051-1mg
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
C668051-5mg
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.

🌡

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.

📚

Literature proof

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

Specifications

Sinónimos
4-Chloro-2-(imidazolin-2-yl)isoindoline | RS-45041-190 | 4-chloro-2-(4, 5-dihydro-1H-imidazol-2-yl)-1, 3-dihydroisoindole | RS 45041 | Tocris-0889 | RS 45041-190 | CHEBI:92457 | DTXSID90168789 | 4-CHLORO-2-(4, 5-DIHYDRO-1H-IMIDAZOL-2-YL)ISOINDOLINE | MB11276
Condiciones de almacenamiento de almacenamiento
Room temperature
Propiedades del producto
ALogP0.9
Nombres e identificadores
Sonrisas canónicasC1CN=C(N1)N2CC3=C(C2)C(=CC=C3)Cl
IUPAC Name4-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dihydroisoindole
InChIKeyIVCMOOBKRRDNHX-UHFFFAOYSA-N
INCHI1S/C11H12ClN3/c12-10-3-1-2-8-6-15(7-9(8)10)11-13-4-5-14-11/h1-3H,4-7H2,(H,13,14)
Isómeros SMILES C1CN=C(N1)N2CC3=C(C2)C(=CC=C3)Cl
Peso molecular 221.68
Reaxy-Rn 9200284
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9200284&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
ClaseIsoindoles and derivatives
SubclassIsoindoles
Intermediate Tree Nodes Not available
Direct ParentIsoindoles
Alternative Parents Isoindolines  Benzenoids  Aryl chlorides  Imidazolines  Guanidines  Propargyl-type 1,3-dipolar organic compounds  Carboximidamides  Azacyclic compounds  Organopnictogen compounds  Organochlorides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Isoindoline - Isoindole - Aryl chloride - Aryl halide - Benzenoid - 2-imidazoline - Guanidine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organopnictogen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as isoindoles. These are heteropolycyclic compounds with a structure containing isoindole, a benzo-fused pyrrole.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
CYP1A2 Tchem Cytochrome P450 1A2 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 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 molecular221.680 g/mol
XLogP30.900
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass221.072 Da
Monoisotopic Mass221.072 Da
Topological Polar Surface Area27.600 Ų
Heavy Atom Count15
Formal Charge0
Complexity279.000
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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