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4-(4，4-DiMethyl-2，5-dioxoiMidazolidin-1-yl)-2-trifluoroMethylbenzonitrile - ≥98%, high purity , CAS No.143782-20-1

COA

Grade & Purity:

≥98%

Cas Number: 143782-20-1
Molecular Weight: 297.23
PubChem CID: 11162285

In stock

Item Number

T725642

Grouped product items
SKU	Size	Availability	Price	Qty
T725642-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$279.90
T725642-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$645.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azolidines
    - Subclass Imidazolidines
      - Level5 Imidazolidinones
        Level6 Imidazolidinediones
        Level7 Hydantoins
        Level8 Phenylhydantoins

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azolidines
Subclass	Imidazolidines
Intermediate Tree Nodes	Imidazolidinones - Imidazolidinediones - Hydantoins
Direct Parent	Phenylhydantoins
Alternative Parents	Phenylimidazolidines Trifluoromethylbenzenes Alpha amino acids and derivatives Benzonitriles N-acyl ureas Dicarboximides Nitriles Azacyclic compounds Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	3-phenylhydantoin - Phenylimidazolidine - Alpha-amino acid or derivatives - Trifluoromethylbenzene - Benzonitrile - N-acyl urea - Ureide - Monocyclic benzene moiety - Benzenoid - Dicarboximide - Carbonic acid derivative - Urea - Carboxylic acid derivative - Carbonitrile - Nitrile - Azacycle - Organic nitrogen compound - Alkyl halide - Hydrocarbon derivative - Organic oxide - Alkyl fluoride - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylhydantoins. These are heterocyclic aromatic compounds containing an imiazolidinedione moiety substituted by a phenyl group.
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)

AR Tclin Androgen receptor (2 Activities)

Discover Target: AR

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Mechanisms of Action

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

Names and Identifiers

IUPAC Name	4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-(trifluoromethyl)benzonitrile
INCHI	InChI=1S/C13H10F3N3O2/c1-12(2)10(20)19(11(21)18-12)8-4-3-7(6-17)9(5-8)13(14,15)16/h3-5H,1-2H3,(H,18,21)
InChIKey	CYCKLVAQENOQPG-UHFFFAOYSA-N
Smiles	CC1(C(=O)N(C(=O)N1)C2=CC(=C(C=C2)C#N)C(F)(F)F)C
Isomeric SMILES	CC1(C(=O)N(C(=O)N1)C2=CC(=C(C=C2)C#N)C(F)(F)F)C
Alternate CAS	143782-20-1
PubChem CID	11162285
Molecular Weight	297.23

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

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	297.230 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	297.073 Da
Monoisotopic Mass	297.073 Da
Topological Polar Surface Area	73.200 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	520.000
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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