TL;DR: 5-(3-chloro-2-methylphenyl)-3-(2-chloroquinolin-3-yl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione (CAS 1022441-96-8) is a chemical compound with molecular formula C27H19Cl2N3O3 and molecular weight 503.08035 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(3-chloro-2-methylphenyl)-3-(2-chloroquinolin-3-yl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 5-(3-chloro-2-methylphenyl)-3-(2-chloroquinolin-3-yl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 5-(3-chloro-2-methylphenyl)-3-(2-chloroquinolin-3-yl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione, 5-(3-chloro-2-methylphenyl)-3-(2-chloroquinolin-3-yl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
| Molecular Formula | C27H19Cl2N3O3 |
| Molecular Weight | 503.08035 g/mol |
| XLogP | 6.3 |
| Topological Polar Surface Area (TPSA) | 62.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 503.08035 Da |
| Heavy Atoms | 35 |
| Complexity | 823.0 |
| SMILES | CC1=C(C=CC=C1Cl)N2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=CC6=CC=CC=C6N=C5Cl |
| InChIKey | XECHRCZXJANQFM-UHFFFAOYSA-N |
The XLogP value of 6.3 indicates that 5-(3-chloro-2-methylphenyl)-3-(2-chloroquinolin-3-yl)-2-phenyl-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 62.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3-chloro-2-methylphenyl)-3-(2-chloroquinolin-3-yl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione. Following Lipinski's Rule of Five, 5-(3-chloro-2-methylphenyl)-3-(2-chloroquinolin-3-yl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 5-(3-chloro-2-methylphenyl)-3-(2-chloroquinolin-3-yl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is 1022441-96-8.
The molecular formula of 5-(3-chloro-2-methylphenyl)-3-(2-chloroquinolin-3-yl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is C27H19Cl2N3O3.
The molecular weight of 5-(3-chloro-2-methylphenyl)-3-(2-chloroquinolin-3-yl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is 503.08035 g/mol.
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