TL;DR: 3-(2-chloro-6-fluorophenyl)-5-(2,4-dimethylphenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione (CAS 1023197-19-4) is a chemical compound with molecular formula C25H19ClFN3O5 and molecular weight 495.09973 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-chloro-6-fluorophenyl)-5-(2,4-dimethylphenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 3-(2-chloro-6-fluorophenyl)-5-(2,4-dimethylphenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 3-(2-chloro-6-fluorophenyl)-5-(2,4-dimethylphenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione, 3-(2-chloro-6-fluorophenyl)-5-(2,4-dimethylphenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
| Molecular Formula | C25H19ClFN3O5 |
| Molecular Weight | 495.09973 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 95.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 495.09973 Da |
| Heavy Atoms | 35 |
| Complexity | 857.0 |
| SMILES | CC1=CC(=C(C=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC(=CC=C4)[N+](=O)[O-])C5=C(C=CC=C5Cl)F)C |
| InChIKey | XRNUNXKWWYCCAH-UHFFFAOYSA-N |
The XLogP value of 5.3 indicates that 3-(2-chloro-6-fluorophenyl)-5-(2,4-dimethylphenyl)-2-(3-nitrophenyl)-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-6-fluorophenyl)-5-(2,4-dimethylphenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione. Following Lipinski's Rule of Five, 3-(2-chloro-6-fluorophenyl)-5-(2,4-dimethylphenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3-(2-chloro-6-fluorophenyl)-5-(2,4-dimethylphenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is 1023197-19-4.
The molecular formula of 3-(2-chloro-6-fluorophenyl)-5-(2,4-dimethylphenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is C25H19ClFN3O5.
The molecular weight of 3-(2-chloro-6-fluorophenyl)-5-(2,4-dimethylphenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is 495.09973 g/mol.
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