TL;DR: 5-benzyl-3-(3-ethoxy-4-phenylmethoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione (CAS 1023804-04-7) is a chemical compound with molecular formula C33H30N2O5 and molecular weight 534.21545 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-benzyl-3-(3-ethoxy-4-phenylmethoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 5-benzyl-3-(3-ethoxy-4-phenylmethoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 5-benzyl-3-(4-(benzyloxy)-3-ethoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, 5-benzyl-3-[4-(benzyloxy)-3-ethoxyphenyl]-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
| Molecular Formula | C33H30N2O5 |
| Molecular Weight | 534.21545 g/mol |
| XLogP | 5.8 |
| Topological Polar Surface Area (TPSA) | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 534.21545 Da |
| Heavy Atoms | 40 |
| Complexity | 850.0 |
| SMILES | CCOC1=C(C=CC(=C1)C2C3C(C(=O)N(C3=O)CC4=CC=CC=C4)ON2C5=CC=CC=C5)OCC6=CC=CC=C6 |
| InChIKey | YINPECOMZDAIRL-UHFFFAOYSA-N |
The XLogP value of 5.8 indicates that 5-benzyl-3-(3-ethoxy-4-phenylmethoxyphenyl)-2-phenyl-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 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-benzyl-3-(3-ethoxy-4-phenylmethoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione. Following Lipinski's Rule of Five, 5-benzyl-3-(3-ethoxy-4-phenylmethoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 5-benzyl-3-(3-ethoxy-4-phenylmethoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is 1023804-04-7.
The molecular formula of 5-benzyl-3-(3-ethoxy-4-phenylmethoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is C33H30N2O5.
The molecular weight of 5-benzyl-3-(3-ethoxy-4-phenylmethoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is 534.21545 g/mol.
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