TL;DR: 3-(4-(tert-butyl)phenyl)-5-(naphthalen-1-yl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione (CAS 1024282-56-1) is a chemical compound with molecular formula C31H28N2O3 and molecular weight 476.21 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-tert-butylphenyl)-5-naphthalen-1-yl-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 3-(4-(tert-butyl)phenyl)-5-(naphthalen-1-yl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, 3-(4-tert-butylphenyl)-5-(naphthalen-1-yl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione, 3-(4-tert-butylphenyl)-5-naphthalen-1-yl-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 3-naphthalen-1-yl-7-phenyl-8-(4-tert-butylphenyl)-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione
| Molecular Formula | C31H28N2O3 |
| Molecular Weight | 476.21 g/mol |
| XLogP | 7.0 |
| Topological Polar Surface Area (TPSA) | 49.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 476.21 Da |
| Heavy Atoms | 36 |
| Complexity | 822.0 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C4=CC=CC5=CC=CC=C54)ON2C6=CC=CC=C6 |
| InChIKey | FWTOXAOGUDVTRJ-UHFFFAOYSA-N |
The XLogP value of 7.0 indicates that 3-(4-(tert-butyl)phenyl)-5-(naphthalen-1-yl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.9 Ų, 3-(4-(tert-butyl)phenyl)-5-(naphthalen-1-yl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-(tert-butyl)phenyl)-5-(naphthalen-1-yl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3-(4-(tert-butyl)phenyl)-5-(naphthalen-1-yl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 1024282-56-1.
The molecular formula of 3-(4-(tert-butyl)phenyl)-5-(naphthalen-1-yl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is C31H28N2O3.
The molecular weight of 3-(4-(tert-butyl)phenyl)-5-(naphthalen-1-yl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 476.21 g/mol.
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