2,5-Diphenylfuran - ≥98% , CAS No.955-83-9

CAS: 955-83-9 Cat. No.: D154958 Formula: C₁₆H₁₂O Peso molecolare: 220.27 Beilstein Registry Number: 17(5)2,398 Numero EC: 213-474-0

GRADE & PURITY ≥98%

Synonyms

AKOS015840535 | DTXSID5022142 | EINECS 213-474-0 | 2FGD8BE3PZ | 4-nitro-N-[(E)-4-quinolylmethyleneamino]aniline | PPF (VAN) | Q27122078 | PPF | Furan,5-diphenyl- | D3176 | AS-50033 | 3-amino-6-hydroxy-2-phenyl-2,5-dihydro-4H-pyrazolo[4,3-c]pyridin-4-one |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

AKOS015840535 | DTXSID5022142 | EINECS 213-474-0 | 2FGD8BE3PZ | 4-nitro-N-[(E)-4-quinolylmethyleneamino]aniline | PPF (VAN) | Q27122078 | PPF | Furan,5-diphenyl- | D3176 | AS-50033 | 3-amino-6-hydroxy-2-phenyl-2,5-dihydro-4H-pyrazolo[4,3-c]pyridin-4-one |

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488184535

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184535

Sorrisi canonici

C1=CC=C(C=C1)C2=CC=C(O2)C3=CC=CC=C3

IUPAC Name

2,5-diphenylfuran

InChIKey

VUPDHIIPAKIKAB-UHFFFAOYSA-N

INCHI

1S/C16H12O/c1-3-7-13(8-4-1)15-11-12-16(17-15)14-9-5-2-6-10-14/h1-12H

Isomeri SMILES

C1=CC=C(C=C1)C2=CC=C(O2)C3=CC=CC=C3

Peso molecolare

220.27

Beilstein

17(5)2,398

Reaxy-Rn

146933

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=146933&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Furans
      • Subclass Diphenylfurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Furans
• Subclass: Diphenylfurans
• Intermediate Tree Nodes: Not available
• Direct Parent: 2,5-diphenylfurans
• Alternative Parents: Benzene and substituted derivatives Heteroaromatic compounds Oxacyclic compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,5-diphenylfuran - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as 2,5-diphenylfurans. These are organic heterocyclic compounds that contain a furan ring substituted with a phenyl group only the C2- and C5-positions.
• External Descriptors: diphenylfuran

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

Obiettivi associati (umani)

PDE4A Tclin Phosphodiesterase 4A (1943 Activities)

Discover Target: PDE4A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: soluble in MeOH
• Punto di ebollizione (°C): 345°C(lit.)
• Punto di fusione (°C): 90°C(lit.)
• Peso molecolare: 220.260 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 220.089 Da
• Monoisotopic Mass: 220.089 Da
• Topological Polar Surface Area: 13.100 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 202.000
• 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