TL;DR: 3-[4-(benzyloxy)-3-methoxyphenyl]-5-(4-bromophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione (CAS 1024335-48-5) is a chemical compound with molecular formula C31H25BrN2O5 and molecular weight 584.09467 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(4-bromophenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 3-[4-(benzyloxy)-3-methoxyphenyl]-5-(4-bromophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione, 3-(4-(benzyloxy)-3-methoxyphenyl)-5-(4-bromophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, 5-(4-bromophenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
| Molecular Formula | C31H25BrN2O5 |
| Molecular Weight | 584.09467 g/mol |
| XLogP | 6.2 |
| Topological Polar Surface Area (TPSA) | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 584.09467 Da |
| Heavy Atoms | 39 |
| Complexity | 854.0 |
| SMILES | COC1=C(C=CC(=C1)C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)Br)ON2C5=CC=CC=C5)OCC6=CC=CC=C6 |
| InChIKey | HXMUMYVNZGBUIT-UHFFFAOYSA-N |
The XLogP value of 6.2 indicates that 3-[4-(benzyloxy)-3-methoxyphenyl]-5-(4-bromophenyl)-2-phenyldihydro-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 3-[4-(benzyloxy)-3-methoxyphenyl]-5-(4-bromophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione. Following Lipinski's Rule of Five, 3-[4-(benzyloxy)-3-methoxyphenyl]-5-(4-bromophenyl)-2-phenyldihydro-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 3-[4-(benzyloxy)-3-methoxyphenyl]-5-(4-bromophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione is 1024335-48-5.
The molecular formula of 3-[4-(benzyloxy)-3-methoxyphenyl]-5-(4-bromophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione is C31H25BrN2O5.
The molecular weight of 3-[4-(benzyloxy)-3-methoxyphenyl]-5-(4-bromophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione is 584.09467 g/mol.
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