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N-(4-acetylphenyl)-N'-cyclohexylurea , CAS No.N668546

COA

Molecular Weight: 260.329
PubChem CID: 844089

In stock

Item Number

N668546

Grouped product items
SKU	Size	Availability	Price	Qty
N668546-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$999.90
N668546-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,999.90

Basic Description

Synonyms	N-(4-acetylphenyl)-N'-cyclohexylurea \| 1-(4-acetylphenyl)-3-cyclohexylurea \| Cambridge id 7283679 \| AK-968/41925208 \| BDBM129299 \| STK433702 \| AKOS000192302 \| CCG-356439 \| SR-01000257437 \| US8815951, 126 \| SR-01000257437-1

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Aryl ketones
        Level7 Phenylketones
        Level8 Alkyl-phenylketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones - Aryl ketones - Phenylketones
Direct Parent	Alkyl-phenylketones
Alternative Parents	N-phenylureas Acetophenones Benzoyl derivatives Aryl alkyl ketones Ureas Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Alkyl-phenylketone - N-phenylurea - Acetophenone - Aryl alkyl ketone - Benzoyl - Benzenoid - Monocyclic benzene moiety - Urea - Carbonic acid derivative - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and 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)

EPHX1 Tchem Epoxide hydrolase 1 (1 Activities)

Discover Target: EPHX1

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	1-(4-acetylphenyl)-3-cyclohexylurea
INCHI	InChI=1S/C15H20N2O2/c1-11(18)12-7-9-14(10-8-12)17-15(19)16-13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H2,16,17,19)
InChIKey	NPEUXWLNCGKRJP-UHFFFAOYSA-N
Smiles	CC(=O)C1=CC=C(C=C1)NC(=O)NC2CCCCC2
Isomeric SMILES	CC(=O)C1=CC=C(C=C1)NC(=O)NC2CCCCC2
PubChem CID	844089
Molecular Weight	260.329

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	260.329 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	260.152 Da
Monoisotopic Mass	260.152 Da
Topological Polar Surface Area	58.200 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	316.000
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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