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3-Cyanoindole - 98%, high purity , CAS No.5457-28-3

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3-Cyanoindole - 98%, high purity , CAS No.5457-28-3

COA

Grade & Purity:

≥98%

Cas Number: 5457-28-3
Molecular Weight: 142.16
Beilstein Registry Number: 120888
MDL number: MFCD00022717
PubChem CID: 230282
PubChem SID: 488188808

In stock

Item Number

C123502

Grouped product items
SKU	Size	Availability	Price
C123502-1g	1g	10	$35.90
C123502-5g	5g	4	$124.90
C123502-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$224.90
C123502-25g	25g	4	$504.90
C123502-100g	100g	2	$1,814.90

Basic Description

Synonyms	SY027479 \| 3-Cyanoindole, 98% \| BB 0242412 \| SCHEMBL186741 \| STK803037 \| STR04969 \| 4,6-Dichloro-2-(methylthio)pyrimidine, 98% \| AC-27780 \| (1H)-indole-3-carbonitrile \| 3-Indolecarbonitrile \| EN300-86125 \| 1H-Indole-3-carbonitrile \| C-8795 \| NSC24935 \| NS
Specifications & Purity	≥98%
Shipped In	Normal
Product Description	Reactant for preparation of: Tryptophan dioxygenase inhibitors pyridyl-ethenyl-indoles as potential anticancer immunomodulators. Inhibitors of the C-terminal domain of RNA polymerase II with antitumor activities. 4-substituted β-lactams. Biologically active Indoles. Inhibitors of glycogen synthase kinase 3β (GSK-3). HIV-1 integrase inhibitors. Indole fragments as inosine monophosphate dehydrogenase (IMPDH) inhibitors. Aziridinomitosene skeleton. Potential antiviral agents. Reactant for: Intramolecular oxidative C-H coupling reactions with applications in medium-ring synthesis techniques.

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Indoles and derivatives
Subclass	Indoles
Intermediate Tree Nodes	Not available
Direct Parent	Indoles
Alternative Parents	Substituted pyrroles Benzenoids Heteroaromatic compounds Nitriles Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Indole - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
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)

IMPDH2 Tclin Inosine-5'-monophosphate dehydrogenase 2 (1326 Activities)

Discover Target: IMPDH2

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

Associated Targets(non-human)

Tdo2 Tryptophan 2,3-dioxygenase (8 Activities)

Discover Target: Tdo2

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

Meloidogyne incognita (862 Activities)

Explore this target

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	488188808
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488188808
IUPAC Name	1H-indole-3-carbonitrile
INCHI	InChI=1S/C9H6N2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H
InChIKey	CHIFTAQVXHNVRW-UHFFFAOYSA-N
Smiles	C1=CC=C2C(=C1)C(=CN2)C#N
Isomeric SMILES	C1=CC=C2C(=C1)C(=CN2)C#N
WGK Germany	3
Molecular Weight	142.16
Beilstein	120888
Reaxy-Rn	120888
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=120888&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.

13 results found

Lot Number	Certificate Type	Date	Item
K1702141	Certificate of Analysis	Jun 12, 2025	C123502
I2412243	Certificate of Analysis	Jul 01, 2024	C123502
I2412245	Certificate of Analysis	Jul 01, 2024	C123502
I2412244	Certificate of Analysis	Jul 01, 2024	C123502
E2309897	Certificate of Analysis	Feb 24, 2023	C123502
E2309881	Certificate of Analysis	Feb 24, 2023	C123502
E2309882	Certificate of Analysis	Feb 24, 2023	C123502
E2309888	Certificate of Analysis	Feb 24, 2023	C123502
E2309895	Certificate of Analysis	Feb 24, 2023	C123502
E2309884	Certificate of Analysis	Feb 24, 2023	C123502
E2309883	Certificate of Analysis	Feb 24, 2023	C123502
H1419062	Certificate of Analysis	Jun 16, 2022	C123502
F1403047	Certificate of Analysis	Apr 13, 2022	C123502

Show more⌵

Chemical and Physical Properties

Sensitivity	Light Sensitive
Melt Point(°C)	179-182°C
Molecular Weight	142.160 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	142.053 Da
Monoisotopic Mass	142.053 Da
Topological Polar Surface Area	39.600 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	191.000
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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