TL;DR: 3,5-Pyrazolidinedione, 1,2-bis(m-hydroxyphenyl)-4-butyl- (CAS 1242-28-0) is a chemical compound with molecular formula C19H20N2O4 and molecular weight 340.1423 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-butyl-1,2-bis(3-hydroxyphenyl)pyrazolidine-3,5-dione
Also Known As: G 27463, 3,5-Pyrazolidinedione, 1,2-bis(m-hydroxyphenyl)-4-butyl-, 5-24-05-00404 (Beilstein Handbook Reference), 1,2-Bis(m-hydroxyphenyl)-4-butyl-3,5-pyrazolidinedione, 1,2-(Di-m-hydroxyphenyl)-3,5-dioxo-4-n-butylpyrazolidin
| Molecular Formula | C19H20N2O4 |
| Molecular Weight | 340.1423 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 81.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 340.1423 Da |
| Heavy Atoms | 25 |
| Complexity | 458.0 |
| SMILES | CCCCC1C(=O)N(N(C1=O)C2=CC(=CC=C2)O)C3=CC(=CC=C3)O |
| InChIKey | VKZRALJXXAVKJL-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Pyrazolidinedione, 1,2-bis(m-hydroxyphenyl)-4-butyl-. The TPSA of 81.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Pyrazolidinedione, 1,2-bis(m-hydroxyphenyl)-4-butyl-. Following Lipinski's Rule of Five, 3,5-Pyrazolidinedione, 1,2-bis(m-hydroxyphenyl)-4-butyl- has 2 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 3,5-Pyrazolidinedione, 1,2-bis(m-hydroxyphenyl)-4-butyl- is 1242-28-0.
The molecular formula of 3,5-Pyrazolidinedione, 1,2-bis(m-hydroxyphenyl)-4-butyl- is C19H20N2O4.
The molecular weight of 3,5-Pyrazolidinedione, 1,2-bis(m-hydroxyphenyl)-4-butyl- is 340.1423 g/mol.
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