TL;DR: (3aS,6aS)-3-(4-methoxyphenyl)-1-phenyl-5-(p-tolyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione (CAS 1212381-29-7) is a chemical compound with molecular formula C25H21N3O3 and molecular weight 411.1583 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3aS,6aS)-3-(4-methoxyphenyl)-5-(4-methylphenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione
Also Known As: (3aS,6aS)-3-(4-methoxyphenyl)-1-phenyl-5-(p-tolyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione, (3aS,6aS)-3-(4-methoxyphenyl)-5-(4-methylphenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione, (3aS,6aS)-3-(4-methoxyphenyl)-5-(4-methylphenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione
| Molecular Formula | C25H21N3O3 |
| Molecular Weight | 411.1583 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 62.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 411.1583 Da |
| Heavy Atoms | 31 |
| Complexity | 716.0 |
| SMILES | CC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](C2=O)N(N=C3C4=CC=C(C=C4)OC)C5=CC=CC=C5 |
| InChIKey | LDLNTYIVGRZWTB-GGAORHGYSA-N |
The XLogP value of 4.7 indicates that (3aS,6aS)-3-(4-methoxyphenyl)-1-phenyl-5-(p-tolyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (3aS,6aS)-3-(4-methoxyphenyl)-1-phenyl-5-(p-tolyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione. Following Lipinski's Rule of Five, (3aS,6aS)-3-(4-methoxyphenyl)-1-phenyl-5-(p-tolyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (3aS,6aS)-3-(4-methoxyphenyl)-1-phenyl-5-(p-tolyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione is 1212381-29-7.
The molecular formula of (3aS,6aS)-3-(4-methoxyphenyl)-1-phenyl-5-(p-tolyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione is C25H21N3O3.
The molecular weight of (3aS,6aS)-3-(4-methoxyphenyl)-1-phenyl-5-(p-tolyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione is 411.1583 g/mol.
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