1,3,5-Triphenylpentane-1,5-dione - ≥95% , CAS No.6263-84-9

CAS: 6263-84-9 Cat. No.: T695803 Molecular Weight: 328.41 EC Number: 684-795-5 PubChem CID: 138708
AVAILABLE TO ORDER
GRADE & PURITY ≥95%
Storage
Room temperature
 ·  off list, applied to all prices below.
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Price
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100mg
T695803-100mg
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$40.90

$61.90
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250mg
T695803-250mg
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$67.90

$101.90
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1g
T695803-1g
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$179.90

$269.90
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Why this grade

≥95% 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.

📋

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

Specifications & Purity
≥95%
Storage
Room temperature
Purity
≥95%
Names and Identifiers
Canonical SmilesC1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)CC(=O)C3=CC=CC=C3
IUPAC Name1,3,5-triphenylpentane-1,5-dione
InChIKeySQFIJFCIFAVGEG-UHFFFAOYSA-N
INCHI1S/C23H20O2/c24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(25)20-14-8-3-9-15-20/h1-15,21H,16-17H2
Isomeric SMILES C1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)CC(=O)C3=CC=CC=C3
PubChem CID 138708
Molecular Weight 328.41

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
SuperclassLignans, neolignans and related compounds
ClassNot available
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentLignans, neolignans and related compounds
Alternative Parents Retro-dihydrochalcones  Alkyl-phenylketones  Butyrophenones  Benzoyl derivatives  Aryl alkyl ketones  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Retro-dihydrochalcone - Norlignan skeleton - Linear 1,3-diarylpropanoid - Alkyl-phenylketone - Butyrophenone - Phenylketone - Benzoyl - Aryl alkyl ketone - Aryl ketone - Monocyclic benzene moiety - Benzenoid - Ketone - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as lignans, neolignans and related compounds. These are plant products of low molecular weight formed primarily from oxidative coupling of two p-propylphenol moieties. They can also be described as micromolecules with two phenylpropanoid units coupled together. They can be attached in various manners, like C5-C5', C8-C8'. Most known natural lignans are oxidized at C9 and C9´ and, based upon the way in which oxygen is incorporated into the skeleton and on the cyclization patterns, a wide range of lignans of very different structural types can be formed.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 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 Weight328.400 g/mol
XLogP34.600
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass328.146 Da
Monoisotopic Mass328.146 Da
Topological Polar Surface Area34.100 Ų
Heavy Atom Count25
Formal Charge0
Complexity391.000
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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