WAY-324047 - ≥97% , CAS No.524055-95-6

CAS: 524055-95-6 Cat. No.: W416987 Summenformel: C₁₉H₂₁N₅O₂ Molekulargewicht: 351.4 PubChem CID: 135422822

QUALITÄT & REINHEIT ≥97%

Synonyms

(2E)-2-[(8-ethoxy-4-methylquinazolin-2-yl)imino]-1,2,5,6,7,8-hexahydroquinazolin-4-ol

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

anti-HIV compound; inhibitor of retroviral propagation;

Spezifikationen

Synonyme

(2E)-2-[(8-ethoxy-4-methylquinazolin-2-yl)imino]-1,2,5,6,7,8-hexahydroquinazolin-4-ol

Spezifikationen & Reinheit

≥97%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Produkteigenschaften

ALogP

3.088

HBD-Zahl

2

Rotationsfähige Bindung

4

Namen und Kennungen

Pubchem Sid

528767906

Kanonisches Lächeln

CCOC1=CC=CC2=C(N=C(N=C21)NC3=NC4=C(CCCC4)C(=O)N3)C

IUPAC Name

2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one

InChIKey

QCVLFSYWOLAWSB-UHFFFAOYSA-N

INCHI

1S/C19H21N5O2/c1-3-26-15-10-6-8-12-11(2)20-18(22-16(12)15)24-19-21-14-9-5-4-7-13(14)17(25)23-19/h6,8,10H,3-5,7,9H2,1-2H3,(H2,20,21,22,23,24,25)

PubChem CID

135422822

Molekulargewicht

351.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Diazanaphthalenes
      • Subclass Benzodiazines
        • Ebene5 Quinazolines
          • Ebene6 Quinazolinamines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Quinazolines
• Direct Parent: Quinazolinamines
• Alternative Parents: Pyrimidones Aminopyrimidines and derivatives Alkyl aryl ethers Benzenoids Vinylogous amides Heteroaromatic compounds Secondary amines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazolinamine - Alkyl aryl ether - Aminopyrimidine - Pyrimidone - Pyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Ether - Azacycle - Secondary amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.
• 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

Chemische und physikalische Eigenschaften

• DMSO (mM) Maximale Löslichkeit: 10
• Molekulargewicht: 351.400 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 351.17 Da
• Monoisotopic Mass: 351.17 Da
• Topological Polar Surface Area: 88.500 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 617.000
• 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