1-Cyclohexyl-3-naphthalen-1-ylurea , CAS No.109246-29-9

CAS: 109246-29-9 Cat. No.: C668538 Molecular Weight: 268.35 EC Number: 653-469-4
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Synonyms
1-cyclohexyl-3-naphthalen-1-ylurea | 1-cyclohexyl-3-(naphthalen-1-yl)urea | N-cyclohexyl-N'-(1-naphthyl)urea | N-cyclohexyl-N'-1-naphthylurea | 1-Cyclohexyl-3-naphthalen-1-yl-urea | MLS001211787 | DTXSID10356742 | BDBM129292 | HMS2841E13 | STK832953 | AKO
Storage
Room temperature
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Size
Status
Price
Qty
1mg
C668538-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$571.90

$999.90
Save $428.00 (42.80%)
5mg
C668538-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$1,999.90

$2,999.90
Save $1,000.00 (33.33%)
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

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

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Quality documents

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

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Literature proof

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

Specifications

Synonyms
1-cyclohexyl-3-naphthalen-1-ylurea | 1-cyclohexyl-3-(naphthalen-1-yl)urea | N-cyclohexyl-N'-(1-naphthyl)urea | N-cyclohexyl-N'-1-naphthylurea | 1-Cyclohexyl-3-naphthalen-1-yl-urea | MLS001211787 | DTXSID10356742 | BDBM129292 | HMS2841E13 | STK832953 | AKO
Storage
Room temperature
Product Properties
ALogP3.3
Names and Identifiers
Canonical SmilesC1CCC(CC1)NC(=O)NC2=CC=CC3=CC=CC=C32
IUPAC Name1-cyclohexyl-3-naphthalen-1-ylurea
InChIKeyTUVHQVHJITVXAV-UHFFFAOYSA-N
INCHI1S/C17H20N2O/c20-17(18-14-9-2-1-3-10-14)19-16-12-6-8-13-7-4-5-11-15(13)16/h4-8,11-12,14H,1-3,9-10H2,(H2,18,19,20)
Isomeric SMILES C1CCC(CC1)NC(=O)NC2=CC=CC3=CC=CC=C32
Molecular Weight 268.35
Reaxy-Rn 3341521
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3341521&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.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassNaphthalenes
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentNaphthalenes
Alternative Parents Ureas  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic homopolycyclic compounds
Substituents Naphthalene - Urea - Carbonic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homopolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
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
TP53 Tchem Cellular tumor antigen p53 (48468 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
POLI Tchem DNA polymerase iota (116820 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight268.350 g/mol
XLogP33.300
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass268.158 Da
Monoisotopic Mass268.158 Da
Topological Polar Surface Area41.100 Ų
Heavy Atom Count20
Formal Charge0
Complexity325.000
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
Solution Calculators
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