TL;DR: 4-Butyl-2-phenyl-1-[4-(phenylmethoxy)phenyl]pyrazolidine-3,5-dione (CAS 1246820-01-8) is a chemical compound with molecular formula C26H26N2O3 and molecular weight 414.19434 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-butyl-1-phenyl-2-(4-phenylmethoxyphenyl)pyrazolidine-3,5-dione
Also Known As: 4'-O-Benzyl Oxyphenbutazone, 4'-O-BenzylOxyphenbutazone-d9, 4a?O-Benzyl Oxyphenbutazone, EINECS 250-725-3, 4'-O-Benzyl Oxyphenbutazone
| Molecular Formula | C26H26N2O3 |
| Molecular Weight | 414.19434 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 49.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 414.19434 Da |
| Heavy Atoms | 31 |
| Complexity | 589.0 |
| SMILES | CCCCC1C(=O)N(N(C1=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC=CC=C4 |
| InChIKey | VQAREFIHUMMGEN-UHFFFAOYSA-N |
The XLogP value of 4.5 indicates that 4-Butyl-2-phenyl-1-[4-(phenylmethoxy)phenyl]pyrazolidine-3,5-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, 4-Butyl-2-phenyl-1-[4-(phenylmethoxy)phenyl]pyrazolidine-3,5-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Butyl-2-phenyl-1-[4-(phenylmethoxy)phenyl]pyrazolidine-3,5-dione has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-Butyl-2-phenyl-1-[4-(phenylmethoxy)phenyl]pyrazolidine-3,5-dione is 1246820-01-8.
The molecular formula of 4-Butyl-2-phenyl-1-[4-(phenylmethoxy)phenyl]pyrazolidine-3,5-dione is C26H26N2O3.
The molecular weight of 4-Butyl-2-phenyl-1-[4-(phenylmethoxy)phenyl]pyrazolidine-3,5-dione is 414.19434 g/mol.
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