TL;DR: 5-(4-ethoxyphenyl)-2-phenyl-3-(2,4,5-trimethoxyphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione (CAS 1022247-21-7) is a chemical compound with molecular formula C28H28N2O7 and molecular weight 504.18964 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(4-ethoxyphenyl)-2-phenyl-3-(2,4,5-trimethoxyphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 5-(4-ethoxyphenyl)-2-phenyl-3-(2,4,5-trimethoxyphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 5-(4-ethoxyphenyl)-2-phenyl-3-(2,4,5-trimethoxyphenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione, 5-(4-ethoxyphenyl)-2-phenyl-3-(2,4,5-trimethoxyphenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
| Molecular Formula | C28H28N2O7 |
| Molecular Weight | 504.18964 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 86.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 504.18964 Da |
| Heavy Atoms | 37 |
| Complexity | 797.0 |
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=CC(=C(C=C5OC)OC)OC |
| InChIKey | VOPAODULPIWLMY-UHFFFAOYSA-N |
The XLogP value of 4.3 indicates that 5-(4-ethoxyphenyl)-2-phenyl-3-(2,4,5-trimethoxyphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-ethoxyphenyl)-2-phenyl-3-(2,4,5-trimethoxyphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione. Following Lipinski's Rule of Five, 5-(4-ethoxyphenyl)-2-phenyl-3-(2,4,5-trimethoxyphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 5-(4-ethoxyphenyl)-2-phenyl-3-(2,4,5-trimethoxyphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is 1022247-21-7.
The molecular formula of 5-(4-ethoxyphenyl)-2-phenyl-3-(2,4,5-trimethoxyphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is C28H28N2O7.
The molecular weight of 5-(4-ethoxyphenyl)-2-phenyl-3-(2,4,5-trimethoxyphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is 504.18964 g/mol.
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