1-(4-Chlorophenyl)-3-cyclohexylurea , CAS No.72802-46-1

CAS: 72802-46-1 Cat. No.: C668185 Summenformel: C13H17ClN2O Molekulargewicht: 252.74 EG-Nummer: 688-806-4
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Synonyms
1-(4-chlorophenyl)-3-cyclohexylurea | 3-(4-chlorophenyl)-1-cyclohexyl-urea | 1-(4-Chloro-phenyl)-3-cyclohexyl-urea | NSC43474 | MLS000555964 | DTXSID20286021 | HMS2342B11 | BDBM50124655 | CCG-55889 | NSC-43474 | STK529696 | AKOS002935023 | N-(4-chlorophen
Storage
Room temperature
★
Size
Deutschland (EU)
USA*
Price
Qty
1mg
C668185-1mg
Auf Bestellung · 8–12 Wochen

496,26€

744,43€
Speichern 248,17 € (33.34%)
5mg
C668185-5mg
Auf Bestellung · 8–12 Wochen

1.735,39€

2.603,13€
Speichern 867,74 € (33.33%)
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyme
1-(4-chlorophenyl)-3-cyclohexylurea | 3-(4-chlorophenyl)-1-cyclohexyl-urea | 1-(4-Chloro-phenyl)-3-cyclohexyl-urea | NSC43474 | MLS000555964 | DTXSID20286021 | HMS2342B11 | BDBM50124655 | CCG-55889 | NSC-43474 | STK529696 | AKOS002935023 | N-(4-chlorophen
Storage
Room temperature
Produkteigenschaften
ALogP
3.5
Namen und Kennungen
Kanonisches Lächeln
C1CCC(CC1)NC(=O)NC2=CC=C(C=C2)Cl
IUPAC Name
1-(4-chlorophenyl)-3-cyclohexylurea
InChIKey
HMLXMYNUQCOEDG-UHFFFAOYSA-N
INCHI
1S/C13H17ClN2O/c14-10-6-8-12(9-7-10)16-13(17)15-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H2,15,16,17)
Isomere SMILES
C1CCC(CC1)NC(=O)NC2=CC=C(C=C2)Cl
Molekulargewicht
252.74
Reaxy-Rn
3310624
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3310624&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
KlasseBenzene and substituted derivatives
SubclassN-phenylureas
Intermediate Tree Nodes Not available
Direct ParentN-phenylureas
Alternative Parents Chlorobenzenes  Aryl chlorides  Ureas  Organopnictogen compounds  Organonitrogen compounds  Organochlorides  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents N-phenylurea - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Urea - Carbonic acid derivative - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Aromatic homomonocyclic compound
BeschreibungThis compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group.
External Descriptors Not available
3D-Struktur
Interaktives chemisches Strukturmodell





Zugehörige Ziele (menschlich)
EPHX1 Tchem Epoxide hydrolase 1 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
EPHX1 Tchem Epoxide hydrolase 1 (644 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EPHX2 Tchem Epoxide hydratase (3844 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
POLI Tchem DNA polymerase iota (116820 Activities)
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BRCA1 Tchem Breast cancer type 1 susceptibility protein (15908 Activities)
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SMN1 Tchem Survival motor neuron protein (34246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NPC1 Tchem Niemann-Pick C1 protein (18985 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RAB9A Tbio Ras-related protein Rab-9A (22488 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
microRNA 21 (64692 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Zugehörige Ziele (nicht menschlich)
ampC Beta-lactamase AmpC (62480 Activities)
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Luciferin 4-monooxygenase (66902 Activities)
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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)
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Rorc Nuclear receptor ROR-gamma (89407 Activities)
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ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)
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Wirkungsmechanismen
Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemische und physikalische Eigenschaften
Molekulargewicht252.740 g/mol
XLogP33.500
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass252.103 Da
Monoisotopic Mass252.103 Da
Topological Polar Surface Area41.100 Ų
Heavy Atom Count17
Formal Charge0
Complexity246.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Lösungsrechner
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