TL;DR: 5-(naphthalen-1-yl)-2-phenyl-3-(3,4,5-trimethoxyphenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione (CAS 1023879-87-9) is a chemical compound with molecular formula C30H26N2O6 and molecular weight 510.17908 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-naphthalen-1-yl-2-phenyl-3-(3,4,5-trimethoxyphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 5-(naphthalen-1-yl)-2-phenyl-3-(3,4,5-trimethoxyphenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione, 5-(naphthalen-1-yl)-2-phenyl-3-(3,4,5-trimethoxyphenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, 5-naphthalen-1-yl-2-phenyl-3-(3,4,5-trimethoxyphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
| Molecular Formula | C30H26N2O6 |
| Molecular Weight | 510.17908 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 77.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 510.17908 Da |
| Heavy Atoms | 38 |
| Complexity | 850.0 |
| SMILES | COC1=CC(=CC(=C1OC)OC)C2C3C(C(=O)N(C3=O)C4=CC=CC5=CC=CC=C54)ON2C6=CC=CC=C6 |
| InChIKey | ORNQRVQPUKWWID-UHFFFAOYSA-N |
The XLogP value of 5.2 indicates that 5-(naphthalen-1-yl)-2-phenyl-3-(3,4,5-trimethoxyphenyl)dihydro-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 77.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(naphthalen-1-yl)-2-phenyl-3-(3,4,5-trimethoxyphenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione. Following Lipinski's Rule of Five, 5-(naphthalen-1-yl)-2-phenyl-3-(3,4,5-trimethoxyphenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 5-(naphthalen-1-yl)-2-phenyl-3-(3,4,5-trimethoxyphenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione is 1023879-87-9.
The molecular formula of 5-(naphthalen-1-yl)-2-phenyl-3-(3,4,5-trimethoxyphenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione is C30H26N2O6.
The molecular weight of 5-(naphthalen-1-yl)-2-phenyl-3-(3,4,5-trimethoxyphenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione is 510.17908 g/mol.
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