TL;DR: 3-(2-chloro-5-nitrophenyl)-5-(4-chlorophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione (CAS 1023547-15-0) is a chemical compound with molecular formula C23H15Cl2N3O5 and molecular weight 483.03888 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-chloro-5-nitrophenyl)-5-(4-chlorophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 3-(2-chloro-5-nitrophenyl)-5-(4-chlorophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 3-(2-chloro-5-nitrophenyl)-5-(4-chlorophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione, 3-(2-chloro-5-nitrophenyl)-5-(4-chlorophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
| Molecular Formula | C23H15Cl2N3O5 |
| Molecular Weight | 483.03888 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 95.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 483.03888 Da |
| Heavy Atoms | 33 |
| Complexity | 781.0 |
| SMILES | C1=CC=C(C=C1)N2C(C3C(O2)C(=O)N(C3=O)C4=CC=C(C=C4)Cl)C5=C(C=CC(=C5)[N+](=O)[O-])Cl |
| InChIKey | VFYBMGMVZNNLCW-UHFFFAOYSA-N |
The XLogP value of 5.1 indicates that 3-(2-chloro-5-nitrophenyl)-5-(4-chlorophenyl)-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 95.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-chloro-5-nitrophenyl)-5-(4-chlorophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione. Following Lipinski's Rule of Five, 3-(2-chloro-5-nitrophenyl)-5-(4-chlorophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3-(2-chloro-5-nitrophenyl)-5-(4-chlorophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is 1023547-15-0.
The molecular formula of 3-(2-chloro-5-nitrophenyl)-5-(4-chlorophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is C23H15Cl2N3O5.
The molecular weight of 3-(2-chloro-5-nitrophenyl)-5-(4-chlorophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is 483.03888 g/mol.
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