TL;DR: 2-(4-chlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)-5-(naphthalen-1-yl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione (CAS 1212078-20-0) is a chemical compound with molecular formula C28H21ClN2O5 and molecular weight 500.1139 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-chlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)-5-naphthalen-1-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 2-(4-chlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)-5-(naphthalen-1-yl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione, 2-(4-chlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)-5-(naphthalen-1-yl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, 2-(4-chlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)-5-naphthalen-1-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
| Molecular Formula | C28H21ClN2O5 |
| Molecular Weight | 500.1139 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 79.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 500.1139 Da |
| Heavy Atoms | 36 |
| Complexity | 835.0 |
| SMILES | COC1=C(C=CC(=C1)C2C3C(C(=O)N(C3=O)C4=CC=CC5=CC=CC=C54)ON2C6=CC=C(C=C6)Cl)O |
| InChIKey | WJBKNADKNWZSOA-UHFFFAOYSA-N |
The XLogP value of 5.5 indicates that 2-(4-chlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)-5-(naphthalen-1-yl)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 79.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-chlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)-5-(naphthalen-1-yl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione. Following Lipinski's Rule of Five, 2-(4-chlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)-5-(naphthalen-1-yl)dihydro-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), which may warrant consideration for formulation optimization.
The CAS number of 2-(4-chlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)-5-(naphthalen-1-yl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione is 1212078-20-0.
The molecular formula of 2-(4-chlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)-5-(naphthalen-1-yl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione is C28H21ClN2O5.
The molecular weight of 2-(4-chlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)-5-(naphthalen-1-yl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione is 500.1139 g/mol.
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