2-Acetyl-3-methylquinoxaline-1,4-dioxide - ≥98% , CAS No.13297-17-1

CAS: 13297-17-1 Cat. No.: A334853 Molecular Weight: 218.21
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
2-Acetyl-3-methylquinoxaline 1,4-dioxide | InChI=1/C11H10N2O3/c1-7-11(8(2)14)13(16)10-6-4-3-5-9(10)12(7)15/h3-6H,1-2H | NSC 42118 | SR-01000397584 | AB00080754-01 | N,N-BIS-(3-CHLORO-PHENYL)-MALONAMIDE | 2-Acetyl-3-methyl-1-oxoquinoxalin-1-ium-4(1H)-olate
Storage
Store at -20°C,Argon charged
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5g
A334853-5g
2

$55.90

$83.90
Save $28.00 (33.37%)
25g
A334853-25g
2

$86.90

$130.90
Save $44.00 (33.61%)
100g
A334853-100g
2

$176.90

$265.90
Save $89.00 (33.47%)
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🧪

Why this grade

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

🌡

Storage & shipping

Store at -20°C,Argon charged Ships Ice chest + Ice pads 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
2-Acetyl-3-methylquinoxaline 1, 4-dioxide | InChI=1/C11H10N2O3/c1-7-11(8(2)14)13(16)10-6-4-3-5-9(10)12(7)15/h3-6H, 1-2H | NSC 42118 | SR-01000397584 | AB00080754-01 | N, N-BIS-(3-CHLORO-PHENYL)-MALONAMIDE | 2-Acetyl-3-methyl-1-oxoquinoxalin-1-ium-4(1H)-olate
Specifications & Purity
≥98%
Storage
Store at -20°C, Argon charged
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Action Type
INHIBITOR
Purity
≥98%
Names and Identifiers
Pubchem Sid504758639
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504758639
Canonical SmilesCC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)C
IUPAC Name1-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)ethanone
InChIKeyCUJMCPPBTUATEJ-UHFFFAOYSA-N
INCHI1S/C11H10N2O3/c1-7-11(8(2)14)13(16)10-6-4-3-5-9(10)12(7)15/h3-6H,1-2H3
Isomeric SMILES CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)C
Molecular Weight 218.21
Reaxy-Rn 749089
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=749089&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
SuperclassOrganoheterocyclic compounds
ClassDiazanaphthalenes
SubclassBenzodiazines
Intermediate Tree Nodes Not available
Direct ParentQuinoxalines
Alternative Parents Benzenoids  Vinylogous amides  Ketones  Propargyl-type 1,3-dipolar organic compounds  Organic oxoazanium compounds  Azacyclic compounds  Aminoxides  Organopnictogen compounds  Organic zwitterions  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Quinoxaline - Benzenoid - Vinylogous amide - Ketone - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Aminoxide - Azacycle - Carbonyl group - Organopnictogen compound - Organic zwitterion - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as quinoxalines. These are compounds containing a quinoxaline moiety, a bicyclic heterocycle made up of a benzene ring fused to a pyrazine ring.
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
CCRF-CEM (65223 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HL-60 (67320 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HSC-3 (372 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
HSC-2 (771 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HSC-4 (439 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MBNL1 Tbio Muscleblind-like protein 1 (34431 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TARDBP Tchem TAR DNA-binding protein 43 (40113 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Abcb1b P-glycoprotein 1 (174 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Escherichia coli (133304 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mycobacterium tuberculosis (203094 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Trypanosoma cruzi (99888 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium berghei (192651 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Giardia (1682 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.

3 results found

Lot NumberCertificate TypeDateItem
K21171023Certificate of AnalysisSep 20, 2024 A334853
K2117969Certificate of AnalysisSep 20, 2024 A334853
K2117970Certificate of AnalysisSep 20, 2024 A334853
Chemical and Physical Properties
SolubilityDichloromethane (Slightly), DMSO (Slightly), Methanol (Slightly, Heated)
Melt Point(°C)142 - 144°C
Molecular Weight218.210 g/mol
XLogP30.300
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass218.069 Da
Monoisotopic Mass218.069 Da
Topological Polar Surface Area63.500 Ų
Heavy Atom Count16
Formal Charge0
Complexity375.000
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
Documents & Articles
Solution Calculators
Reviews

Customer Reviews

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