TL;DR: 5-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-2,3a-diphenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione (CAS 1022008-12-3) is a chemical compound with molecular formula C32H28N2O5 and molecular weight 520.1998 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-2,3a-diphenyl-3,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 5-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-2,3a-diphenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione, 3-(4-ethoxyphenyl)-8-(4-methoxyphenyl)-1,7-diphenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione, 5-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-2,3a-diphenyl-3,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione, 5-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-2,3a-diphenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
| Molecular Formula | C32H28N2O5 |
| Molecular Weight | 520.1998 g/mol |
| XLogP | 5.8 |
| Topological Polar Surface Area (TPSA) | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 520.1998 Da |
| Heavy Atoms | 39 |
| Complexity | 855.0 |
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)C3C(C2=O)(C(N(O3)C4=CC=CC=C4)C5=CC=C(C=C5)OC)C6=CC=CC=C6 |
| InChIKey | CSPMPBHDTIPGRZ-UHFFFAOYSA-N |
The XLogP value of 5.8 indicates that 5-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-2,3a-diphenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-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-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-2,3a-diphenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione. Following Lipinski's Rule of Five, 5-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-2,3a-diphenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-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-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-2,3a-diphenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione is 1022008-12-3.
The molecular formula of 5-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-2,3a-diphenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione is C32H28N2O5.
The molecular weight of 5-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-2,3a-diphenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione is 520.1998 g/mol.
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