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· · COA & SDS available for every product · Same-day shipping on in-stock items 1-(3-(Trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butane-1,3-dione - ≥99% , CAS No.764667-65-4
Synonyms
Sitagliptin Ketoamide Impurity | 1,3-BUTANEDIONE, 1-(5,6-DIHYDRO-3-(TRIFLUOROMETHYL)-1,2,4-TRIAZOLO(4,3-A)PYRAZIN-7(8H)-YL)-4-(2,4,5-TRIFLUOROPHENYL)- | 4-oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluoroph |
Shipped In
Ice chest + Ice pads
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Why this grade ≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at -20°C Ships Ice chest + Ice pads 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
Sitagliptin Ketoamide Impurity | 1, 3-BUTANEDIONE, 1-(5, 6-DIHYDRO-3-(TRIFLUOROMETHYL)-1, 2, 4-TRIAZOLO(4, 3-A)PYRAZIN-7(8H)-YL)-4-(2, 4, 5-TRIFLUOROPHENYL)- | 4-oxo-4-[3-(trifluoromethyl)-5, 6-dihydro[1, 2, 4]triazolo[4, 3-a]pyrazin-7(8H)-yl]-1-(2, 4, 5-trifluoroph |
Specifications & Purity
≥99%
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Canonical Smiles C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)CC(=O)CC3=CC(=C(C=C3F)F)F IUPAC Name 1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butane-1,3-dione InChIKey QAEDTLFWHIEVPK-UHFFFAOYSA-N INCHI 1S/C16H12F6N4O2/c17-10-6-12(19)11(18)4-8(10)3-9(27)5-14(28)25-1-2-26-13(7-25)23-24-15(26)16(20,21)22/h4,6H,1-3,5,7H2 Isomeric SMILES C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)CC(=O)CC3=CC(=C(C=C3F)F)F PubChem CID 9887588 Molecular Weight 406.28
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 Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Triazolopyrazines Subclass Not available Intermediate Tree Nodes Not available Direct Parent Triazolopyrazines Alternative Parents Fluorobenzenes Pyrazines Aryl fluorides 1,3-dicarbonyl compounds Triazoles Tertiary carboxylic acid amides Heteroaromatic compounds Ketones Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Molecular Framework Aromatic heteropolycyclic compounds Substituents Triazolopyrazine - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Pyrazine - 1,3-dicarbonyl compound - Benzenoid - Monocyclic benzene moiety - Azole - 1,2,4-triazole - Triazole - Heteroaromatic compound - Tertiary carboxylic acid amide - Ketone - Carboxamide group - Carboxylic acid derivative - Azacycle - Alkyl fluoride - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as triazolopyrazines. These are compounds containing a triazole ring fused to a pyrazine ring. Triazole is a five-membered ring consisting of two carbon atoms and three nitrogen atoms. Pyrazine is a 6-membered ring consisting of six carbon atoms and two nitrogen centers at ring positions 1 and 4. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 406.280 g/mol XLogP3 1.100 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 10 Rotatable Bond Count 4 Exact Mass 406.086 Da Monoisotopic Mass 406.086 Da Topological Polar Surface Area 68.100 Ų Heavy Atom Count 28 Formal Charge 0 Complexity 606.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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