TL;DR: 3-(4-chlorophenyl)-2-phenyl-5-(m-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione (CAS 1009413-71-1) is a chemical compound with molecular formula C24H19ClN2O3 and molecular weight 418.10843 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-chlorophenyl)-5-(3-methylphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 3-(4-chlorophenyl)-2-phenyl-5-(m-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, 3-(4-chlorophenyl)-5-(3-methylphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 3-(4-chlorophenyl)-5-(3-methylphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
| Molecular Formula | C24H19ClN2O3 |
| Molecular Weight | 418.10843 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 49.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 418.10843 Da |
| Heavy Atoms | 30 |
| Complexity | 659.0 |
| SMILES | CC1=CC(=CC=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=CC=C(C=C5)Cl |
| InChIKey | CZNJUCWEUUULRC-UHFFFAOYSA-N |
The XLogP value of 5.0 indicates that 3-(4-chlorophenyl)-2-phenyl-5-(m-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.9 Ų, 3-(4-chlorophenyl)-2-phenyl-5-(m-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-chlorophenyl)-2-phenyl-5-(m-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-(4-chlorophenyl)-2-phenyl-5-(m-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 1009413-71-1.
The molecular formula of 3-(4-chlorophenyl)-2-phenyl-5-(m-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is C24H19ClN2O3.
The molecular weight of 3-(4-chlorophenyl)-2-phenyl-5-(m-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 418.10843 g/mol.
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