TL;DR: 10-methyl-11-(4-(methylthio)phenyl)-8-(4-nitrophenyl)-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-ol (CAS 728927-60-4) is a chemical compound with molecular formula C26H20N6O3S and molecular weight 496.13177 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
15-methyl-17-(4-methylsulfanylphenyl)-13-(4-nitrophenyl)-1,8,11,13,14-pentazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,10,12(16),14-hexaen-9-one
Also Known As: 10-methyl-11-(4-(methylthio)phenyl)-8-(4-nitrophenyl)-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-ol, 10-methyl-11-[4-(methylsulfanyl)phenyl]-8-(4-nitrophenyl)-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6(5H)-one
| Molecular Formula | C26H20N6O3S |
| Molecular Weight | 496.13177 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 134.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 496.13177 Da |
| Heavy Atoms | 36 |
| Complexity | 881.0 |
| SMILES | CC1=NN(C2=C1C(N3C4=CC=CC=C4NC(=O)C3=N2)C5=CC=C(C=C5)SC)C6=CC=C(C=C6)[N+](=O)[O-] |
| InChIKey | WIEPPZOHANJRBY-UHFFFAOYSA-N |
The XLogP value of 4.6 indicates that 10-methyl-11-(4-(methylthio)phenyl)-8-(4-nitrophenyl)-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 10-methyl-11-(4-(methylthio)phenyl)-8-(4-nitrophenyl)-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-ol. Following Lipinski's Rule of Five, 10-methyl-11-(4-(methylthio)phenyl)-8-(4-nitrophenyl)-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-ol has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 10-methyl-11-(4-(methylthio)phenyl)-8-(4-nitrophenyl)-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-ol is 728927-60-4.
The molecular formula of 10-methyl-11-(4-(methylthio)phenyl)-8-(4-nitrophenyl)-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-ol is C26H20N6O3S.
The molecular weight of 10-methyl-11-(4-(methylthio)phenyl)-8-(4-nitrophenyl)-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-ol is 496.13177 g/mol.
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