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· · COA & SDS available for every product · Same-day shipping on in-stock items TC-I 2000 - ≥99%(HPLC) , CAS No.1159996-20-9
Synonyms
N-(4-Fluorophenyl)-3,4-dihydro-1-[4-(trifluoromethyl)phenyl]-2(1H)-isoquinolinecarboxamide | N-(4-fluorophenyl)-1-(4-(trifluoromethyl)phenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide
Shipped In
Ice chest + Ice pads
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Why this grade ≥99%(HPLC) 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
N-(4-Fluorophenyl)-3, 4-dihydro-1-[4-(trifluoromethyl)phenyl]-2(1H)-isoquinolinecarboxamide | N-(4-fluorophenyl)-1-(4-(trifluoromethyl)phenyl)-3, 4-dihydroisoquinoline-2(1H)-carboxamide
Specifications & Purity
≥99%(HPLC)
Biochemical and Physiological Mechanisms
TRPM8 channel blocker. Inhibitsicilin-induced TRPM8 channel activation in rTRPM8-expressing CHO cells (IC50= 53 nM).
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 C1CN(C(C2=CC=CC=C21)C3=CC=C(C=C3)C(F)(F)F)C(=O)NC4=CC=C(C=C4)F IUPAC Name N-(4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide InChIKey ADCDUDFEGFKKQH-UHFFFAOYSA-N INCHI 1S/C23H18F4N2O/c24-18-9-11-19(12-10-18)28-22(30)29-14-13-15-3-1-2-4-20(15)21(29)16-5-7-17(8-6-16)23(25,26)27/h1-12,21H,13-14H2,(H,28,30) Isomeric SMILES C1CN(C(C2=CC=CC=C21)C3=CC=C(C=C3)C(F)(F)F)C(=O)NC4=CC=C(C=C4)F PubChem CID 57326210 Molecular Weight 414.4
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 Tetrahydroisoquinolines Subclass 1-phenyltetrahydroisoquinolines Intermediate Tree Nodes Not available Direct Parent 1-phenyltetrahydroisoquinolines Alternative Parents Trifluoromethylbenzenes N-phenylureas Fluorobenzenes Aryl fluorides Ureas Tertiary amines Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Molecular Framework Aromatic heteropolycyclic compounds Substituents 1-phenyltetrahydroisoquinoline - Trifluoromethylbenzene - N-phenylurea - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary amine - Urea - Azacycle - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as 1-phenyltetrahydroisoquinolines. These are compounds containing a phenyl group attached to the C1-atom of a tetrahydroisoquinoline moiety. 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 Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Solvent:DMSO, Max Conc. mg/mL: 41.44, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 8.29, Max Conc. mM: 20 Molecular Weight 414.400 g/mol XLogP3 5.300 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 2 Exact Mass 414.136 Da Monoisotopic Mass 414.136 Da Topological Polar Surface Area 32.299 Ų Heavy Atom Count 30 Formal Charge 0 Complexity 582.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 1 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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