TL;DR: 2-phenyl-5-(p-tolyl)-3-(3,4,5-trimethoxyphenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione (CAS 1023516-33-7) is a chemical compound with molecular formula C27H26N2O6 and molecular weight 474.17908 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(4-methylphenyl)-2-phenyl-3-(3,4,5-trimethoxyphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 2-phenyl-5-(p-tolyl)-3-(3,4,5-trimethoxyphenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, 5-(4-methylphenyl)-2-phenyl-3-(3,4,5-trimethoxyphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 5-(4-methylphenyl)-2-phenyl-3-(3,4,5-trimethoxyphenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
| Molecular Formula | C27H26N2O6 |
| Molecular Weight | 474.17908 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 77.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 474.17908 Da |
| Heavy Atoms | 35 |
| Complexity | 751.0 |
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=CC(=C(C(=C5)OC)OC)OC |
| InChIKey | RCRXMLUHTZJIIZ-UHFFFAOYSA-N |
The XLogP value of 4.3 indicates that 2-phenyl-5-(p-tolyl)-3-(3,4,5-trimethoxyphenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-phenyl-5-(p-tolyl)-3-(3,4,5-trimethoxyphenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione. Following Lipinski's Rule of Five, 2-phenyl-5-(p-tolyl)-3-(3,4,5-trimethoxyphenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-phenyl-5-(p-tolyl)-3-(3,4,5-trimethoxyphenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 1023516-33-7.
The molecular formula of 2-phenyl-5-(p-tolyl)-3-(3,4,5-trimethoxyphenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is C27H26N2O6.
The molecular weight of 2-phenyl-5-(p-tolyl)-3-(3,4,5-trimethoxyphenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 474.17908 g/mol.
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