TL;DR: (Z)-1,4-bis[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]-2-butene (CAS 163300-58-1) is a chemical compound with molecular formula C22H20N4O8 and molecular weight 468.1281 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[4-[(Z)-4-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]but-2-enoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione
Also Known As: YM440, J1.643.851K, (Z)-2,2'-(((but-2-ene-1,4-diylbis(oxy))bis(4,1-phenylene))bis(methylene))bis(1,2,4-oxadiazolidine-3,5-dione), (Z)-1,4-bis[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]-2-butene, 2,2 -[(Z)-2-Butene-1,4-diyl]bis(oxy)bis(4,1-phenylene)bis(methylene)bis(1,2,4-oxadiazolidine-3,5-dione)
| Molecular Formula | C22H20N4O8 |
| Molecular Weight | 468.1281 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 136.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 468.1281 Da |
| Heavy Atoms | 34 |
| Complexity | 726.0 |
| SMILES | C1=CC(=CC=C1CN2C(=O)NC(=O)O2)OC/C=C\COC3=CC=C(C=C3)CN4C(=O)NC(=O)O4 |
| InChIKey | LUACLLSCZRRTIH-UPHRSURJSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-1,4-bis[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]-2-butene. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-1,4-bis[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]-2-butene. Following Lipinski's Rule of Five, (Z)-1,4-bis[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]-2-butene has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (Z)-1,4-bis[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]-2-butene is 163300-58-1.
The molecular formula of (Z)-1,4-bis[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]-2-butene is C22H20N4O8.
The molecular weight of (Z)-1,4-bis[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]-2-butene is 468.1281 g/mol.
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