TL;DR: 5-(4-chlorophenyl)-3-(3,5-dichloro-2-hydroxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione (CAS 1023004-40-1) is a chemical compound with molecular formula C23H15Cl3N2O4 and molecular weight 488.00974 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(4-chlorophenyl)-3-(3,5-dichloro-2-hydroxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 5-(4-chlorophenyl)-3-(3,5-dichloro-2-hydroxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione, 5-(4-chlorophenyl)-3-(3,5-dichloro-2-hydroxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 5-(4-chlorophenyl)-3-(3,5-dichloro-2-hydroxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
| Molecular Formula | C23H15Cl3N2O4 |
| Molecular Weight | 488.00974 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 70.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 488.00974 Da |
| Heavy Atoms | 32 |
| Complexity | 728.0 |
| 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)Cl)Cl)O |
| InChIKey | NGSZVKITUOELLM-UHFFFAOYSA-N |
The XLogP value of 5.6 indicates that 5-(4-chlorophenyl)-3-(3,5-dichloro-2-hydroxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-chlorophenyl)-3-(3,5-dichloro-2-hydroxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione. Following Lipinski's Rule of Five, 5-(4-chlorophenyl)-3-(3,5-dichloro-2-hydroxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 5-(4-chlorophenyl)-3-(3,5-dichloro-2-hydroxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione is 1023004-40-1.
The molecular formula of 5-(4-chlorophenyl)-3-(3,5-dichloro-2-hydroxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione is C23H15Cl3N2O4.
The molecular weight of 5-(4-chlorophenyl)-3-(3,5-dichloro-2-hydroxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione is 488.00974 g/mol.
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