TL;DR: 3-(4-(benzyloxy)phenyl)-5-(3-chlorophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione (CAS 1024280-90-7) is a chemical compound with molecular formula C30H23ClN2O4 and molecular weight 510.13464 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(3-chlorophenyl)-2-phenyl-3-(4-phenylmethoxyphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 3-(4-(benzyloxy)phenyl)-5-(3-chlorophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, 3-[4-(benzyloxy)phenyl]-5-(3-chlorophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione, 5-(3-chlorophenyl)-2-phenyl-3-(4-phenylmethoxyphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
| Molecular Formula | C30H23ClN2O4 |
| Molecular Weight | 510.13464 g/mol |
| XLogP | 6.1 |
| Topological Polar Surface Area (TPSA) | 59.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 510.13464 Da |
| Heavy Atoms | 37 |
| Complexity | 805.0 |
| SMILES | C1=CC=C(C=C1)COC2=CC=C(C=C2)C3C4C(C(=O)N(C4=O)C5=CC(=CC=C5)Cl)ON3C6=CC=CC=C6 |
| InChIKey | GQBTWXTZAZMSLV-UHFFFAOYSA-N |
The XLogP value of 6.1 indicates that 3-(4-(benzyloxy)phenyl)-5-(3-chlorophenyl)-2-phenyldihydro-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 59.1 Ų, 3-(4-(benzyloxy)phenyl)-5-(3-chlorophenyl)-2-phenyldihydro-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-(benzyloxy)phenyl)-5-(3-chlorophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3-(4-(benzyloxy)phenyl)-5-(3-chlorophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 1024280-90-7.
The molecular formula of 3-(4-(benzyloxy)phenyl)-5-(3-chlorophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is C30H23ClN2O4.
The molecular weight of 3-(4-(benzyloxy)phenyl)-5-(3-chlorophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 510.13464 g/mol.
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