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· · COA & SDS für jedes Produkt verfügbar · Versand am selben Tag auf Lager AU1235 - ≥98% , CAS No.1338780-86-1
Synonyms
1-(1-Adamantyl)-3-(2,3,4-trifluorophenyl)urea | N-tricyclo[3.3.1.13,7]dec-1-yl-N'-(2,3,4-trifluorophenyl)-Urea
Shipped In
Ice chest + Ice pads
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Why this grade ≥98% 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.
Übersicht Information
AU1235 AU1235, an adamantyl urea, is a potent inhibitor of Mycobacterium tuberculosis protein MmpL3 .
Targets
MmpL3
Specifications Synonyme
1-(1-Adamantyl)-3-(2,3,4-trifluorophenyl)urea | N-tricyclo[3.3.1.13,7]dec-1-yl-N'-(2,3,4-trifluorophenyl)-Urea
Spezifikationen & Reinheit
≥98%
Biochemische und physiologische Mechanismen
AU1235, an adamantyl urea, is a potent inhibitor of Mycobacterium tuberculosis protein MmpL3.
Verschickt in
Ice chest + Ice pads
Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.
Produkteigenschaften ALogP 3.705 hba_count 1 HBD-Zahl 2 Rotationsfähige Bindung 2
Namen und Kennungen Pubchem Sid 504771391 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504771391 Kanonisches Lächeln C1C2CC3CC1CC(C2)(C3)NC(=O)NC4=C(C(=C(C=C4)F)F)F IUPAC Name 1-(1-adamantyl)-3-(2,3,4-trifluorophenyl)urea InChIKey PYDHHHKUANVSJV-UHFFFAOYSA-N INCHI 1S/C17H19F3N2O/c18-12-1-2-13(15(20)14(12)19)21-16(23)22-17-6-9-3-10(7-17)5-11(4-9)8-17/h1-2,9-11H,3-8H2,(H2,21,22,23) Isomere SMILES C1C2CC3CC1CC(C2)(C3)NC(=O)NC4=C(C(=C(C=C4)F)F)F Molekulargewicht 324.34 Reaxy-Rn 21847673 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21847673&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 Benzenoids Klasse Benzene and substituted derivatives Subclass N-phenylureas Intermediate Tree Nodes Not available Direct Parent N-phenylureas Alternative Parents Fluorobenzenes Aryl fluorides Ureas Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic homopolycyclic compounds Substituents N-phenylurea - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Urea - Organic nitrogen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Aromatic homopolycyclic compound Beschreibung This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea 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-Struktur Zugehörige Ziele (menschlich) Zugehörige Ziele (nicht menschlich) Wirkungsmechanismen Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm) Chemische und physikalische Eigenschaften Löslichkeit Solubility (25°C) In vitro Ethanol: 65 mg/mL (200.4 mM); DMSO: 10 mg/mL (30.83 mM); Water: Insoluble; DMSO (mg/ml) Maximale Löslichkeit 10 DMSO (mM) Maximale Löslichkeit 30.8318431275822 Wasser (mg/ml) Maximale Löslichkeit ＜1 Molekulargewicht 324.340 g/mol XLogP3 3.900 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 2 Exact Mass 324.145 Da Monoisotopic Mass 324.145 Da Topological Polar Surface Area 41.100 Ų Heavy Atom Count 23 Formal Charge 0 Complexity 445.000 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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