2-(p-Toluenesulfonyl)acetophenone - ≥98% , CAS No.31378-03-7

CAS: 31378-03-7 Cat. No.: P160488 Molecular Weight: 274.33 EC Number: 250-605-0 PubChem CID: 97654
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
Histone Deacetylase Inhibitor VII | ONO-7643 hydrochloride | 1,1-dimethylethyl ((1S)-1-{((2S,4R)-4-(7-chloro-4-methoxyisoquinolin-1-yloxy)-2-({(1R,2S)-1-((cyclopropylsulfonyl)carbamoyl)-2-ethenylcyclopropyl}carbamoyl) pyrrolidin-1-yl)carbonyl}-2,2-dimethy
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1g
P160488-1g
5
$34.90
5g
P160488-5g
4
$123.90
10g
P160488-10g
3
$220.90
25g
P160488-25g
2
$497.90
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal 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

Synonyms
Histone Deacetylase Inhibitor VII | ONO-7643 hydrochloride | 1, 1-dimethylethyl ((1S)-1-{((2S, 4R)-4-(7-chloro-4-methoxyisoquinolin-1-yloxy)-2-({(1R, 2S)-1-((cyclopropylsulfonyl)carbamoyl)-2-ethenylcyclopropyl}carbamoyl) pyrrolidin-1-yl)carbonyl}-2, 2-dimethy
Specifications & Purity
≥98%
Storage
Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Pubchem Sid488187064
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488187064
Canonical SmilesCC1=CC=C(C=C1)S(=O)(=O)CC(=O)C2=CC=CC=C2
IUPAC Name2-(4-methylphenyl)sulfonyl-1-phenylethanone
InChIKeyRFQXSRPFYWMUDV-UHFFFAOYSA-N
INCHI1S/C15H14O3S/c1-12-7-9-14(10-8-12)19(17,18)11-15(16)13-5-3-2-4-6-13/h2-10H,11H2,1H3
Isomeric SMILES CC1=CC=C(C=C1)S(=O)(=O)CC(=O)C2=CC=CC=C2
PubChem CID 97654
Molecular Weight 274.33
Reaxy-Rn 1883233

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
SuperclassOrganic oxygen compounds
ClassOrganooxygen compounds
SubclassCarbonyl compounds
Intermediate Tree Nodes Ketones - Aryl ketones - Phenylketones
Direct ParentAlkyl-phenylketones
Alternative Parents Tosyl compounds  Benzenesulfonyl compounds  Benzoyl derivatives  Aryl alkyl ketones  Sulfones  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Alkyl-phenylketone - Tosyl compound - Benzenesulfonyl group - Aryl alkyl ketone - Benzoyl - Toluene - Benzenoid - Monocyclic benzene moiety - Sulfonyl - Sulfone - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Aromatic homomonocyclic compound
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
TP53 Tchem Cellular tumor antigen p53 (48468 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RECQL Tbio ATP-dependent DNA helicase Q1 (5575 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Luciferin 4-monooxygenase (66902 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 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:

Find and download the COA for your product by matching the lot number on the packaging.

8 results found

Lot NumberCertificate TypeDateItem
G2321779Certificate of AnalysisJun 30, 2023 P160488
G2321797Certificate of AnalysisJun 30, 2023 P160488
G2321804Certificate of AnalysisJun 30, 2023 P160488
G2321805Certificate of AnalysisJun 30, 2023 P160488
G2321809Certificate of AnalysisJun 30, 2023 P160488
G2321815Certificate of AnalysisJun 30, 2023 P160488
G2321839Certificate of AnalysisJun 30, 2023 P160488
G2321857Certificate of AnalysisJun 30, 2023 P160488
Chemical and Physical Properties
Melt Point(°C)110 °C
Molecular Weight274.300 g/mol
XLogP32.900
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass274.066 Da
Monoisotopic Mass274.066 Da
Topological Polar Surface Area59.600 Ų
Heavy Atom Count19
Formal Charge0
Complexity394.000
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
Reviews

Customer Reviews

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