TL;DR: 11-(2-FURYL)-10-METHYL-2-(4-METHYLPHENYL)-8-PHENYL-8,11-DIHYDROPYRAZOLO[4',3':5,6]PYRANO[3,2-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE (CAS 902023-43-2) is a chemical compound with molecular formula C27H20N6O2 and molecular weight 460.16476 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
16-(furan-2-yl)-14-methyl-4-(4-methylphenyl)-12-phenyl-10-oxa-3,5,6,8,12,13-hexazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2,4,7,11(15),13-hexaene
Also Known As: 11-(2-FURYL)-10-METHYL-2-(4-METHYLPHENYL)-8-PHENYL-8,11-DIHYDROPYRAZOLO[4',3':5,6]PYRANO[3,2-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE, 11-(furan-2-yl)-10-methyl-2-(4-methylphenyl)-8-phenyl-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine, 11-(furan-2-yl)-10-methyl-8-phenyl-2-(p-tolyl)-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
| Molecular Formula | C27H20N6O2 |
| Molecular Weight | 460.16476 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 83.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 460.16476 Da |
| Heavy Atoms | 35 |
| Complexity | 743.0 |
| SMILES | CC1=CC=C(C=C1)C2=NN3C=NC4=C(C3=N2)C(C5=C(O4)N(N=C5C)C6=CC=CC=C6)C7=CC=CO7 |
| InChIKey | QJIHIFSVHAMKIO-UHFFFAOYSA-N |
The XLogP value of 5.2 indicates that 11-(2-FURYL)-10-METHYL-2-(4-METHYLPHENYL)-8-PHENYL-8,11-DIHYDROPYRAZOLO[4',3':5,6]PYRANO[3,2-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 11-(2-FURYL)-10-METHYL-2-(4-METHYLPHENYL)-8-PHENYL-8,11-DIHYDROPYRAZOLO[4',3':5,6]PYRANO[3,2-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE. Following Lipinski's Rule of Five, 11-(2-FURYL)-10-METHYL-2-(4-METHYLPHENYL)-8-PHENYL-8,11-DIHYDROPYRAZOLO[4',3':5,6]PYRANO[3,2-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 11-(2-FURYL)-10-METHYL-2-(4-METHYLPHENYL)-8-PHENYL-8,11-DIHYDROPYRAZOLO[4',3':5,6]PYRANO[3,2-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE is 902023-43-2.
The molecular formula of 11-(2-FURYL)-10-METHYL-2-(4-METHYLPHENYL)-8-PHENYL-8,11-DIHYDROPYRAZOLO[4',3':5,6]PYRANO[3,2-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE is C27H20N6O2.
The molecular weight of 11-(2-FURYL)-10-METHYL-2-(4-METHYLPHENYL)-8-PHENYL-8,11-DIHYDROPYRAZOLO[4',3':5,6]PYRANO[3,2-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE is 460.16476 g/mol.
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