1,2,3,3,8-Pentamethyl-5-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[3,2-g]quinolin-7(8H)-one - ≥98%(HPLC)(T) , CAS No.58721-74-7

CAS: 58721-74-7 Cat. No.: P404894 Peso molecular: 324.35 PubChem CID: 93886
Disponible para pedir
GRADE & PURITY ≥98%(HPLC)(T)
Synonyms
1,2,3,8-Tetrahydro-1,2,3,3,8-pentamethyl-5-(trifluoromethyl)-7H-pyrrolo[3,2-g]quinolin-7-one | DTXSID20886282 | 1,2,3,3,8-Pentamethyl-5-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[3,2-g]quinolin-7(8H)-one | EINECS 261-404-2 | 1,2,3,3,8-pentamethyl-5-(trifluo
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
200mg
P404894-200mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

232,90US$

271,90US$
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Why this grade

≥98%(HPLC)(T) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships 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.

Descripción general

Maximum Absorption Wavelength:388(EtOH)nm

Specifications

Sinónimos
1, 2, 3, 8-Tetrahydro-1, 2, 3, 3, 8-pentamethyl-5-(trifluoromethyl)-7H-pyrrolo[3, 2-g]quinolin-7-one | DTXSID20886282 | 1, 2, 3, 3, 8-Pentamethyl-5-(trifluoromethyl)-2, 3-dihydro-1H-pyrrolo[3, 2-g]quinolin-7(8H)-one | EINECS 261-404-2 | 1, 2, 3, 3, 8-pentamethyl-5-(trifluo
Especificaciones y pureza
≥98%(HPLC)(T)
Condiciones de almacenamiento de almacenamiento
Room temperature
Pureza
≥98%(HPLC)(T)
Nombres e identificadores
Sonrisas canónicasCC1C(C2=C(N1C)C=C3C(=C2)C(=CC(=O)N3C)C(F)(F)F)(C)C
IUPAC Name1,2,3,3,8-pentamethyl-5-(trifluoromethyl)-2H-pyrrolo[3,2-g]quinolin-7-one
InChIKeyIOUKYANHUBKAIN-UHFFFAOYSA-N
INCHI1S/C17H19F3N2O/c1-9-16(2,3)12-6-10-11(17(18,19)20)7-15(23)22(5)13(10)8-14(12)21(9)4/h6-9H,1-5H3
Isómeros SMILES CC1C(C2=C(N1C)C=C3C(=C2)C(=CC(=O)N3C)C(F)(F)F)(C)C
PubChem CID 93886
Peso molecular 324.35
Reaxy-Rn 7942109

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
ClaseQuinolines and derivatives
SubclassPyrroloquinolines
Intermediate Tree Nodes Not available
Direct ParentPyrroloquinolines
Alternative Parents Hydroquinolones  Aminoquinolines and derivatives  Hydroquinolines  Indoles and derivatives  Dialkylarylamines  Pyridinones  Aralkylamines  Benzenoids  Heteroaromatic compounds  Lactams  Azacyclic compounds  Organopnictogen compounds  Organooxygen compounds  Organofluorides  Organic oxides  Hydrocarbon derivatives  Alkyl fluorides  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Pyrroloquinoline - Dihydroquinolone - Aminoquinoline - Dihydroquinoline - Indole or derivatives - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Aralkylamine - Pyridinone - Benzenoid - Pyridine - Heteroaromatic compound - Tertiary amine - Lactam - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as pyrroloquinolines. These are compounds containing a pyrroloquinoline moiety, which consists of a pyrrole ring fused to a quinoline.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Peso molecular324.340 g/mol
XLogP33.400
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass324.145 Da
Monoisotopic Mass324.145 Da
Topological Polar Surface Area23.600 Ų
Heavy Atom Count23
Formal Charge0
Complexity555.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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