TL;DR: 5-(4-ethoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione (CAS 1022419-74-4) is a chemical compound with molecular formula C26H23N3O8 and molecular weight 505.14853 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(4-ethoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 5-(4-ethoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 5-(4-ethoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione, 5-(4-ethoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
| Molecular Formula | C26H23N3O8 |
| Molecular Weight | 505.14853 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 134.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 505.14853 Da |
| Heavy Atoms | 37 |
| Complexity | 859.0 |
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC(=CC=C4)[N+](=O)[O-])C5=CC(=C(C=C5)O)OC |
| InChIKey | PHDVXTXVVOLFOG-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that 5-(4-ethoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)-2-(3-nitrophenyl)-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 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-ethoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione. Following Lipinski's Rule of Five, 5-(4-ethoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 5-(4-ethoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is 1022419-74-4.
The molecular formula of 5-(4-ethoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is C26H23N3O8.
The molecular weight of 5-(4-ethoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is 505.14853 g/mol.
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