Posaconazole inter-8

Base Information

• Chemical Name: Posaconazole inter-8
• CAS No.: 161532-56-5
• Molecular Formula: C32H32F2N8O3
• Molecular Weight: 614.65
• DSSTox Substance ID: DTXSID90704868
• Wikidata: Q72501804
• Mol file: 161532-56-5.mol

Synonyms:Posaconazole inter-8;161532-56-5;4-[4-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1H-1,2,4-triazol-5-one;Posaconazole inter-8;Posaconazole Intermediate-8;SCHEMBL15184624;DTXSID90704868;AKOS025402372;AC-8491;2,5-Anhydro-1,3,4-trideoxy-2-(2,4-difluorophenyl)-4-[(4-{4-[4-(5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)phenyl]piperazin-1-yl}phenoxy)methyl]-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol

Chemical Property of Posaconazole inter-8

Chemical Property:

• Refractive Index: 1.688
• PKA: 10.16±0.20(Predicted)
• PSA: 106.59000
• Density: 1.428 g/cm³
• LogP: 4.31020
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 9
• Exact Mass: 614.25654324
• Heavy Atom Count: 45
• Complexity: 1020

Purity/Quality:

min 99% ^*data from raw suppliers

POSACONAZOLE INTER-8 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1C2=CC=C(C=C2)N3C=NNC3=O)C4=CC=C(C=C4)OCC5CC(OC5)(CN6C=NC=N6)C7=C(C=C(C=C7)F)F
• Isomeric SMILES: C1CN(CCN1C2=CC=C(C=C2)N3C=NNC3=O)C4=CC=C(C=C4)OC[C@H]5C[C@](OC5)(CN6C=NC=N6)C7=C(C=C(C=C7)F)F
• Uses: Deshydroxypentanyl Posaconazole is derived from 4-{[4-(4-Methyloxyphenyl)-piperazin-1-yl]-phenyl}-2,4-dihydro-[1,2,4]-triazol-3-one (M266245), which is an intermediate for the synthesis of Itraconazole (I937500), an antifungal agent.