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5-Iodoisatin - 98%, high purity , CAS No.20780-76-1

COA

Grade & Purity:

≥98%

Cas Number: 20780-76-1
Molecular Weight: 273.03
Beilstein Registry Number: 21(5)10,266
PubChem CID: 88695
PubChem SID: 504755955

In stock

Item Number

I157456

Grouped product items
SKU	Size	Availability	Price
I157456-1g	1g	3	$25.90
I157456-5g	5g	1	$89.90
I157456-25g	25g	2	$299.90

View related series

azole (525) Halogenated heterocyclic block (1171)

Basic Description

Synonyms	SCHEMBL51755 \| F0348-1933 \| EINECS 244-035-1 \| 5-iodoindoline-2,3-dione \| AC-29452 \| NSC92515 \| NSC-92515 \| SR-01000550633-1 \| 5-Iodo-1H-indole-2,3-dione # \| 5-iodo-2,3-dihydro-1H-indole-2,3-dione \| 5-Iodo-2,3-indolinedione \| 4-(2-Aminophenyl)morpholine \|
Specifications & Purity	≥98%
Storage Temp	Protected from light,Argon charged
Shipped In	Normal
Product Description	5-Iodoisatin undergoes condensation reaction with: . phenol yields 5-iodophenolisatin . malonic acid yields 6-iodo-2-quinolone-4-carboxylic acid

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Indoles and derivatives
    - Subclass Indolines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Indoles and derivatives
Subclass	Indolines
Intermediate Tree Nodes	Not available
Direct Parent	Indolines
Alternative Parents	Aryl ketones Benzenoids Aryl iodides Vinylogous amides Secondary carboxylic acid amides Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Dihydroindole - Aryl ketone - Aryl halide - Aryl iodide - Benzenoid - Vinylogous amide - Carboxamide group - Ketone - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organoiodide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

BCHE Tclin Butyrylcholinesterase (7174 Activities)

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CES1 Tchem Acyl coenzyme A:cholesterol acyltransferase (1029 Activities)

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TGM2 Tchem Protein-glutamine gamma-glutamyltransferase (1221 Activities)

Discover Target: TGM2

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U-937 (7138 Activities)

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Associated Targets(non-human)

Cruzipain (33337 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALS Acetolactate synthase (354 Activities)

Discover Target: ALS

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SARS coronavirus 3C-like proteinase (333 Activities)

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rhodesain Rhodesain (1463 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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Falcipain 2 (539 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504755955
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504755955
IUPAC Name	5-iodo-1H-indole-2,3-dione
INCHI	InChI=1S/C8H4INO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3H,(H,10,11,12)
InChIKey	OEUGDMOJQQLVAZ-UHFFFAOYSA-N
Smiles	C1=CC2=C(C=C1I)C(=O)C(=O)N2
Isomeric SMILES	C1=CC2=C(C=C1I)C(=O)C(=O)N2
WGK Germany	3
Molecular Weight	273.03
Beilstein	21(5)10,266
Reaxy-Rn	131248
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=131248&ln=

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.

9 results found

Lot Number	Certificate Type	Date	Item
H2401469	Certificate of Analysis	Jun 18, 2024	I157456
D2523354	Certificate of Analysis	Jun 18, 2024	I157456
D2509545	Certificate of Analysis	Jun 18, 2024	I157456
J2331400	Certificate of Analysis	Oct 24, 2023	I157456
J2331401	Certificate of Analysis	Oct 24, 2023	I157456
J2331409	Certificate of Analysis	Oct 24, 2023	I157456
E2309694	Certificate of Analysis	May 04, 2023	I157456
E2309701	Certificate of Analysis	May 04, 2023	I157456
E2309714	Certificate of Analysis	May 04, 2023	I157456

Chemical and Physical Properties

Solubility	Soluble acetone, acetic acid, ethanol. Insoluble in water.
Sensitivity	Light Sensitive
Melt Point(°C)	276-280 °C (lit.)
Molecular Weight	273.030 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	272.929 Da
Monoisotopic Mass	272.929 Da
Topological Polar Surface Area	46.200 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	241.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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5-Iodoisatin - 98%, high purity , CAS No.20780-76-1

Basic Description

Taxonomic Classification

Associated Targets(Human)

Associated Targets(non-human)

Mechanisms of Action

Names and Identifiers

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

Chemical and Physical Properties

Solution Calculators

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

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