3H-1,2,4-Triazol-3-one, 4-(4-(4-(4-(((2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-1-piperazinyl)phenyl)-2,4-dihydro-, rel-

Base Information

Chemical Name:3H-1,2,4-Triazol-3-one, 4-(4-(4-(4-(((2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-1-piperazinyl)phenyl)-2,4-dihydro-, rel-
CAS No.:89848-41-9
Molecular Formula:C31H30Cl2N8O4
Molecular Weight:649.536
Hs Code.:
UNII:123KG715O7
Wikidata:Q27251364
ChEMBL ID:CHEMBL1835956
Mol file:89848-41-9.mol

3H-1,2,4-Triazol-3-one, 4-(4-(4-(4-(((2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-1-piperazinyl)phenyl)-2,4-dihydro-, rel-

Synonyms:89848-41-9;UNII-123KG715O7;123KG715O7;3H-1,2,4-Triazol-3-one, 4-(4-(4-(4-(((2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-1-piperazinyl)phenyl)-2,4-dihydro-, rel-;3H-1,2,4-Triazol-3-one, 4-(4-(4-(4-((2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-1-piperazinyl)phenyl)-2,4-dihydro-, cis-;4-[4-[4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1H-1,2,4-triazol-5-one;CHEMBL1835956;SCHEMBL10671949;Q27251364

Suppliers and Price of 3H-1,2,4-Triazol-3-one, 4-(4-(4-(4-(((2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-1-piperazinyl)phenyl)-2,4-dihydro-, rel-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Medical Isotopes, Inc.
N-DesalkylItraconazole
25 mg
$ 675.00

Biosynth Carbosynth
N-Desalkyl itraconazole
25 mg
$ 1125.00

Biosynth Carbosynth
N-Desalkyl itraconazole
10 mg
$ 500.00

Biosynth Carbosynth
N-Desalkyl itraconazole
5 mg
$ 275.00

Biosynth Carbosynth
N-Desalkyl itraconazole
2 mg
$ 170.00

Biosynth Carbosynth
N-Desalkyl itraconazole
1 mg
$ 120.00

Total 8 raw suppliers

Chemical Property of 3H-1,2,4-Triazol-3-one, 4-(4-(4-(4-(((2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-1-piperazinyl)phenyl)-2,4-dihydro-, rel-

Chemical Property:

PSA：115.56000
LogP:4.26290
Storage Temp.:Refrigerator
Solubility.:DMSO (Slightly, Heated, Sonicated), Methanol (Very Slightly, Heated)
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:9
Exact Mass:648.1767069
Heavy Atom Count:45
Complexity:1020

Purity/Quality:

95%+ or 98%+ ^*data from raw suppliers

N-DesalkylItraconazole ^*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)OCC5COC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl
Isomeric SMILES:C1CN(CCN1C2=CC=C(C=C2)N3C=NNC3=O)C4=CC=C(C=C4)OC[C@@H]5CO[C@@](O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl
Uses N-Desalkyl Itraconazole is a derivative of itraconazole (I937500), an orally active antimycotic structurally related to Ketoconazole. Antifungal. N-Desalkyl Itraconazole is a derivative of itraconazole (I937500), an orally active antimycotic structurally related to Ketoconazole. Antifungal. It is a COVID19-related research product.

Technology Process of 3H-1,2,4-Triazol-3-one, 4-(4-(4-(4-(((2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-1-piperazinyl)phenyl)-2,4-dihydro-, rel-

There total 1 articles about 3H-1,2,4-Triazol-3-one, 4-(4-(4-(4-(((2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-1-piperazinyl)phenyl)-2,4-dihydro-, rel- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 62.0%