Mofarotene , Retinoid receptor modulator, CAS No.125533-88-2, Retinoid receptor modulator

CAS: 125533-88-2 Cat. No.: M671008 Molecular Weight: 433.6 PubChem CID: 5467732
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Synonyms
Mofarotene | NSC658402 | UNII-8K3CVY8F8V | 4-[2-[p-[(E)-2-(5,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-naphthyl)propenyl]phenoxy]ethyl]morpholine | 8K3CVY8F8V | Q27270660 | 4-[2-[4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenoxy]ethy
Storage
Room temperature
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Size
Status
Price
Qty
1mg
M671008-1mg
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$999.90
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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
Mofarotene | NSC658402 | UNII-8K3CVY8F8V | 4-[2-[p-[(E)-2-(5, 7, 8-Tetrahydro-5, 5, 8, 8-tetramethyl-2-naphthyl)propenyl]phenoxy]ethyl]morpholine | 8K3CVY8F8V | Q27270660 | 4-[2-[4-[(E)-2-(5, 5, 8, 8-tetramethyl-6, 7-dihydronaphthalen-2-yl)prop-1-enyl]phenoxy]ethy
Storage
Room temperature
Action Type
MODULATOR
Mechanism of action
Retinoid receptor modulator
Product Properties
ALogP7.6
Names and Identifiers
Canonical SmilesCC(=CC1=CC=C(C=C1)OCCN2CCOCC2)C3=CC4=C(C=C3)C(CCC4(C)C)(C)C
IUPAC Name4-[2-[4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenoxy]ethyl]morpholine
InChIKeyOUQPTBCOEKUHBH-LSDHQDQOSA-N
INCHI1S/C29H39NO2/c1-22(24-8-11-26-27(21-24)29(4,5)13-12-28(26,2)3)20-23-6-9-25(10-7-23)32-19-16-30-14-17-31-18-15-30/h6-11,20-21H,12-19H2,1-5H3/b22-20+
Isomeric SMILES C/C(=C\C1=CC=C(C=C1)OCCN2CCOCC2)/C3=CC4=C(C=C3)C(CCC4(C)C)(C)C
PubChem CID 5467732
Molecular Weight 433.6

Documentation

📋 Safety Data Sheet (SDS)

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

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✅ 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
SuperclassPhenylpropanoids and polyketides
ClassStilbenes
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentStilbenes
Alternative Parents Tetralins  Styrenes  Phenoxy compounds  Phenol ethers  Alkyl aryl ethers  Morpholines  Trialkylamines  Oxacyclic compounds  Dialkyl ethers  Azacyclic compounds  Organopnictogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Stilbene - Tetralin - Phenoxy compound - Phenol ether - Styrene - Alkyl aryl ether - Monocyclic benzene moiety - Morpholine - Oxazinane - Benzenoid - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Ether - Dialkyl ether - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
Homo sapiens (32628 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Canis familiaris (36305 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 Weight433.600 g/mol
XLogP37.600
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass433.298 Da
Monoisotopic Mass433.298 Da
Topological Polar Surface Area21.700 Ų
Heavy Atom Count32
Formal Charge0
Complexity625.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds1
Covalently-Bonded Unit Count1
Solution Calculators
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