WAY-232261 - ≥97% , CAS No.332023-13-9

CAS: 332023-13-9 Cat. No.: W418463 Summenformel: C₁₄H₂₀N₄O₃ Molekulargewicht: 292.3336 PubChem CID: 2771409

QUALITÄT & REINHEIT ≥97%

Synonyms

WAY-232261 | 4-[2-NITRO-5-(1-PIPERAZINYL)PHENYL]MORPHOLINE | BB 0245821 | 4-(2-Nitro-5-piperazin-1-yl-phenyl)-morpholin e | Cambridge id 5764926 | BBL002980 | MFCD01173869 | 4-(2-Nitro-5-(piperazin-1-yl)phenyl)morpholine | 4-(2-nitro-5-piperazin-1-ylpheny

Storage

Store at 2-8°C

Shipped In

Wet ice

Übersicht

PI3 kinase inhibitors

Spezifikationen

Synonyme

WAY-232261 | 4-[2-NITRO-5-(1-PIPERAZINYL)PHENYL]MORPHOLINE | BB 0245821 | 4-(2-Nitro-5-piperazin-1-yl-phenyl)-morpholin e | Cambridge id 5764926 | BBL002980 | MFCD01173869 | 4-(2-Nitro-5-(piperazin-1-yl)phenyl)morpholine | 4-(2-nitro-5-piperazin-1-ylpheny

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C

Verschickt in

Wet ice

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

Reinheit

≥97%

Produkteigenschaften

ALogP

1.157

HBD-Zahl

1

Rotationsfähige Bindung

3

Namen und Kennungen

Pubchem Sid

504761782

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504761782

Kanonisches Lächeln

C1CN(CCN1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3

IUPAC Name

4-(2-nitro-5-piperazin-1-ylphenyl)morpholine

InChIKey

DPJQYITZDFYLGA-UHFFFAOYSA-N

INCHI

1S/C14H20N4O3/c19-18(20)13-2-1-12(16-5-3-15-4-6-16)11-14(13)17-7-9-21-10-8-17/h1-2,11,15H,3-10H2

Isomere SMILES

C1CN(CCN1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3

PubChem CID

2771409

Molekulargewicht

292.3336

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperazines
• Alternative Parents: Phenylmorpholines N-arylpiperazines Nitrobenzenes Nitroaromatic compounds Dialkylarylamines Aniline and substituted anilines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Dialkylamines Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylmorpholine - Phenylpiperazine - N-arylpiperazine - Nitrobenzene - Nitroaromatic compound - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Monocyclic benzene moiety - Morpholine - Oxazinane - Benzenoid - C-nitro compound - Tertiary amine - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Dialkyl ether - Secondary aliphatic amine - Ether - Organic oxoazanium - Oxacycle - Secondary amine - Azacycle - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Amine - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to 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.

DOI: 10.1186/s13321-016-0174-y

Chemische und physikalische Eigenschaften

• DMSO (mM) Maximale Löslichkeit: 10
• Molekulargewicht: 292.330 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 292.154 Da
• Monoisotopic Mass: 292.154 Da
• Topological Polar Surface Area: 73.600 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 351.000
• 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