TL;DR: 2-(4-chlorophenyl)-5-(4-fluorophenyl)-3-(4-hydroxy-3-methoxyphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione (CAS 1022862-50-5) is a chemical compound with molecular formula C24H18ClFN2O5 and molecular weight 468.08884 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-chlorophenyl)-5-(4-fluorophenyl)-3-(4-hydroxy-3-methoxyphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 2-(4-chlorophenyl)-5-(4-fluorophenyl)-3-(4-hydroxy-3-methoxyphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 2-(4-chlorophenyl)-5-(4-fluorophenyl)-3-(4-hydroxy-3-methoxyphenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione, 2-(4-chlorophenyl)-5-(4-fluorophenyl)-3-(4-hydroxy-3-methoxyphenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
| Molecular Formula | C24H18ClFN2O5 |
| Molecular Weight | 468.08884 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 79.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 468.08884 Da |
| Heavy Atoms | 33 |
| Complexity | 742.0 |
| SMILES | COC1=C(C=CC(=C1)C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)F)ON2C5=CC=C(C=C5)Cl)O |
| InChIKey | GDFNDKPKSZGTAM-UHFFFAOYSA-N |
The XLogP value of 4.4 indicates that 2-(4-chlorophenyl)-5-(4-fluorophenyl)-3-(4-hydroxy-3-methoxyphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-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)-5-(4-fluorophenyl)-3-(4-hydroxy-3-methoxyphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione. Following Lipinski's Rule of Five, 2-(4-chlorophenyl)-5-(4-fluorophenyl)-3-(4-hydroxy-3-methoxyphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(4-chlorophenyl)-5-(4-fluorophenyl)-3-(4-hydroxy-3-methoxyphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is 1022862-50-5.
The molecular formula of 2-(4-chlorophenyl)-5-(4-fluorophenyl)-3-(4-hydroxy-3-methoxyphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is C24H18ClFN2O5.
The molecular weight of 2-(4-chlorophenyl)-5-(4-fluorophenyl)-3-(4-hydroxy-3-methoxyphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is 468.08884 g/mol.
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