TL;DR: 3-(4-hydroxy-3-methoxyphenyl)-2-phenyl-5-propyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione (CAS 1005108-57-5) is a chemical compound with molecular formula C21H22N2O5 and molecular weight 382.15286 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-hydroxy-3-methoxyphenyl)-2-phenyl-5-propyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 3-(4-hydroxy-3-methoxyphenyl)-2-phenyl-5-propyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione, VU0507665-1, 3-(4-hydroxy-3-methoxyphenyl)-2-phenyl-5-propyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, F3023-0799, 3-(4-hydroxy-3-methoxyphenyl)-2-phenyl-5-propyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
| Molecular Formula | C21H22N2O5 |
| Molecular Weight | 382.15286 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 79.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 382.15286 Da |
| Heavy Atoms | 28 |
| Complexity | 593.0 |
| SMILES | CCCN1C(=O)C2C(N(OC2C1=O)C3=CC=CC=C3)C4=CC(=C(C=C4)O)OC |
| InChIKey | NYPLHDDUBFFRLX-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that 3-(4-hydroxy-3-methoxyphenyl)-2-phenyl-5-propyldihydro-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 79.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-hydroxy-3-methoxyphenyl)-2-phenyl-5-propyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione. Following Lipinski's Rule of Five, 3-(4-hydroxy-3-methoxyphenyl)-2-phenyl-5-propyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-(4-hydroxy-3-methoxyphenyl)-2-phenyl-5-propyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione is 1005108-57-5.
The molecular formula of 3-(4-hydroxy-3-methoxyphenyl)-2-phenyl-5-propyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione is C21H22N2O5.
The molecular weight of 3-(4-hydroxy-3-methoxyphenyl)-2-phenyl-5-propyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione is 382.15286 g/mol.
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