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5-[2-(4-Hydroxyphenyl)Ethyl]-5-Methylimidazolidine-2,4-Dione - ≥95%, high purity , CAS No.91567-45-2

COA

Grade & Purity:

≥95%

Cas Number: 91567-45-2
Molecular Weight: 234.25
MDL number: MFCD06380309
PubChem CID: 4961761

In stock

Item Number

B300973

Grouped product items
SKU	Size	Availability	Price	Qty
B300973-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,957.90
B300973-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,914.90

Basic Description

Synonyms	5-[2-(4-hydroxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione \| 91567-45-2 \| 5-(4-Hydroxyphenethyl)-5-methylimidazolidine-2,4-dione \| SMR000153521 \| MLS000566382 \| CHEMBL1488426 \| SCHEMBL14935501 \| DTXSID20406929 \| HMS2167I15 \| HMS3311B22 \| MFCD06380309 \| AKOS000263270 \| AKOS0172
Specifications & Purity	≥95%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azolidines
Subclass	Imidazolidines
Intermediate Tree Nodes	Imidazolidinones - Imidazolidinediones
Direct Parent	Hydantoins
Alternative Parents	Alpha amino acids and derivatives 5-monosubstituted hydantoins N-acyl ureas 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Dicarboximides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Hydantoin - Alpha-amino acid or derivatives - 5-monosubstituted hydantoin - 1-hydroxy-2-unsubstituted benzenoid - N-acyl urea - Phenol - Ureide - Monocyclic benzene moiety - Benzenoid - Dicarboximide - Urea - Carbonic acid derivative - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as hydantoins. These are heterocyclic compounds containing an imidazolidine substituted by ketone group at positions 2 and 4.
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

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	5-[2-(4-hydroxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
INCHI	InChI=1S/C12H14N2O3/c1-12(10(16)13-11(17)14-12)7-6-8-2-4-9(15)5-3-8/h2-5,15H,6-7H2,1H3,(H2,13,14,16,17)
InChIKey	XUIFFZGCVHKMNX-UHFFFAOYSA-N
Smiles	CC1(C(=O)NC(=O)N1)CCC2=CC=C(C=C2)O
Isomeric SMILES	CC1(C(=O)NC(=O)N1)CCC2=CC=C(C=C2)O
Molecular Weight	234.25
Reaxy-Rn	795059
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=795059&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	234.250 g/mol
XLogP3	1.100
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	234.1 Da
Monoisotopic Mass	234.1 Da
Topological Polar Surface Area	78.400 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	324.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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