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· · COA & SDS available for every product · Same-day shipping on in-stock items BMN 673 , CAS No.1207454-56-5
Synonyms
SCHEMBL2046086 | SCHEMBL20101601 | 1207454-56-5 | BDBM50145143 | LT-628 | (11R,12S)-7-fluoro-11-(4-fluorophenyl)-12-(2-methyl-1,2,4-triazol-3-yl)-2,3,10-triazatricyclo[7.3.1.0^{5,13]trideca-1(13),5,7,9-tetraen-4-one | (11S,12R)-7-fluoro-11-(4-fluorophenyl
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Why this grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Normal 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
SCHEMBL2046086 | SCHEMBL20101601 | 1207454-56-5 | BDBM50145143 | LT-628 | (11R,12S)-7-fluoro-11-(4-fluorophenyl)-12-(2-methyl-1,2,4-triazol-3-yl)-2,3,10-triazatricyclo[7.3.1.0^{5,13]trideca-1(13),5,7,9-tetraen-4-one | (11S,12R)-7-fluoro-11-(4-fluorophenyl
Names and Identifiers Canonical Smiles CN1C(=NC=N1)C2C(NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F IUPAC Name 7-fluoro-11-(4-fluorophenyl)-12-(2-methyl-1,2,4-triazol-3-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one InChIKey HWGQMRYQVZSGDQ-UHFFFAOYSA-N INCHI 1S/C19H14F2N6O/c1-27-18(22-8-23-27)15-16(9-2-4-10(20)5-3-9)24-13-7-11(21)6-12-14(13)17(15)25-26-19(12)28/h2-8,15-16,24H,1H3,(H,26,28) Isomeric SMILES CN1C(=NC=N1)C2C(NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F Molecular Weight 380.35 Reaxy-Rn 19918515 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19918515&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 Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Quinolines and derivatives Subclass Phenylquinolines Intermediate Tree Nodes Not available Direct Parent Phenylquinolines Alternative Parents Phthalazinones Secondary alkylarylamines Pyridazinones Fluorobenzenes Aralkylamines Aryl fluorides Triazoles Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Phenylquinoline - Phthalazinone - Diazanaphthalene - Phthalazine - Fluorobenzene - Halobenzene - Pyridazinone - Secondary aliphatic/aromatic amine - Aralkylamine - Monocyclic benzene moiety - Pyridazine - Aryl fluoride - Aryl halide - Benzenoid - Azole - 1,2,4-triazole - Heteroaromatic compound - Lactam - Azacycle - Secondary amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Organopnictogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with a phenyl group. 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(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 380.400 g/mol XLogP3 2.300 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 7 Rotatable Bond Count 2 Exact Mass 380.12 Da Monoisotopic Mass 380.12 Da Topological Polar Surface Area 84.200 Ų Heavy Atom Count 28 Formal Charge 0 Complexity 654.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 2 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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