TL;DR: C23H14BrCl2FN2O3 (CAS 1024210-05-6) is a chemical compound with molecular formula C23H14BrCl2FN2O3 and molecular weight 533.9549 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3-bromo-4-fluorophenyl)-5-(3,5-dichlorophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 3-(3-bromo-4-fluorophenyl)-5-(3,5-dichlorophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 3-(3-bromo-4-fluorophenyl)-5-(3,5-dichlorophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione, 3-(3-bromo-4-fluorophenyl)-5-(3,5-dichlorophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, C23H14BrCl2FN2O3
| Molecular Formula | C23H14BrCl2FN2O3 |
| Molecular Weight | 533.9549 g/mol |
| XLogP | 6.1 |
| Topological Polar Surface Area (TPSA) | 49.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 533.9549 Da |
| Heavy Atoms | 32 |
| Complexity | 732.0 |
| SMILES | C1=CC=C(C=C1)N2C(C3C(O2)C(=O)N(C3=O)C4=CC(=CC(=C4)Cl)Cl)C5=CC(=C(C=C5)F)Br |
| InChIKey | CWSHZTDTVXGPNQ-UHFFFAOYSA-N |
The XLogP value of 6.1 indicates that C23H14BrCl2FN2O3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.9 Ų, C23H14BrCl2FN2O3 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C23H14BrCl2FN2O3 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of C23H14BrCl2FN2O3 is 1024210-05-6.
The molecular formula of C23H14BrCl2FN2O3 is C23H14BrCl2FN2O3.
The molecular weight of C23H14BrCl2FN2O3 is 533.9549 g/mol.
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