(2S)-5-bromo-6-fluoro-2-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide - ≥97% , CAS No.1643156-23-3

CAS: 1643156-23-3 Cat. No.: B630117 Peso molecular: 369.23 PubChem CID: 117761273

GRADE & PURITY ≥97%

Synonyms

(S)-5-Bromo-6-fluoro-2-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide | P20367 | SCHEMBL16320606 | 1H-Carbazole-8-carboxamide, 5-bromo-6-fluoro-2,3,4,9-tetrahydro-2-(1-hydroxy-1-methylethyl)-, (2S)- | (2S)-5-Bromo-6-fluoro-2,3,4,9-te

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

(S)-5-Bromo-6-fluoro-2-(2-hydroxypropan-2-yl)-2, 3, 4, 9-tetrahydro-1H-carbazole-8-carboxamide | P20367 | SCHEMBL16320606 | 1H-Carbazole-8-carboxamide, 5-bromo-6-fluoro-2, 3, 4, 9-tetrahydro-2-(1-hydroxy-1-methylethyl)-, (2S)- | (2S)-5-Bromo-6-fluoro-2, 3, 4, 9-te

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C1CCC2=C(C1)NC3=C2C(=C(C=C3C(=O)N)F)Br)O
• IUPAC Name: (7S)-4-bromo-3-fluoro-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
• InChIKey: INKXBBUMHPYPAU-ZETCQYMHSA-N
• INCHI: 1S/C16H18BrFN2O2/c1-16(2,22)7-3-4-8-11(5-7)20-14-9(15(19)21)6-10(18)13(17)12(8)14/h6-7,20,22H,3-5H2,1-2H3,(H2,19,21)/t7-/m0/s1
• Isómeros SMILES: CC(C)([C@H]1CCC2=C(C1)NC3=C2C(=C(C=C3C(=O)N)F)Br)O
• CAS alternativo: 1643156-23-3
• PubChem CID: 117761273
• Peso molecular: 369.23

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Indoles and derivatives
      • Subclass Carbazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Indoles and derivatives
• Subclass: Carbazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbazoles
• Alternative Parents: Indolecarboxamides and derivatives Indoles Benzenoids Vinylogous amides Tertiary alcohols Pyrrolines Pyrroles Heteroaromatic compounds Amino acids and derivatives Vinyl fluorides Vinyl bromides Fluoroalkenes Dialkylamines Carboxylic acid amides Bromoalkenes Azacyclic compounds Organopnictogen compounds Organofluorides Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Carbazole - Indolecarboxamide derivative - Indole - Benzenoid - Heteroaromatic compound - Vinylogous amide - Tertiary alcohol - Pyrroline - Pyrrole - Carboxamide group - Amino acid or derivatives - Azacycle - Fluoroalkene - Bromoalkene - Haloalkene - Vinyl halide - Vinyl fluoride - Vinyl bromide - Secondary amine - Secondary aliphatic amine - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Amine - Alcohol - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring.
• 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.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Peso molecular: 369.230 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 368.054 Da
• Monoisotopic Mass: 368.054 Da
• Topological Polar Surface Area: 79.100 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 461.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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