TL;DR: (3E,3'E)-4,4'-[Ethane-1,2-diylbis(azanediyl)]bis(1,1,1-trifluorobut-3-en-2-one) (CAS 134219-74-2) is a chemical compound with molecular formula C10H10F6N2O2 and molecular weight 304.06464 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-1,1,1-trifluoro-4-[2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]ethylamino]but-3-en-2-one
Also Known As: J3.476.089F, 4,4'-Ethylenebis(imino)bis(1,1,1-trifluoro-3-butene-2-one), 4,4 -Ethylenebis(imino)bis(1,1,1-trifluoro-3-butene-2-one), (3E,3'E)-4,4'-[Ethane-1,2-diylbis(azanediyl)]bis(1,1,1-trifluorobut-3-en-2-one), 1,1,1-trifluoro-4-[2-[(4,4,4-trifluoro-3-oxo-but-1-enyl)amino]ethylamino]but-3-en-2-one
| Molecular Formula | C10H10F6N2O2 |
| Molecular Weight | 304.06464 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 304.06464 Da |
| Heavy Atoms | 20 |
| Complexity | 360.0 |
| SMILES | C(N/C=C/C(=O)C(F)(F)F)CN/C=C/C(=O)C(F)(F)F |
| InChIKey | FTUKBCRYYFIJNY-ZPUQHVIOSA-N |
The XLogP value of 3.5 indicates that (3E,3'E)-4,4'-[Ethane-1,2-diylbis(azanediyl)]bis(1,1,1-trifluorobut-3-en-2-one) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, (3E,3'E)-4,4'-[Ethane-1,2-diylbis(azanediyl)]bis(1,1,1-trifluorobut-3-en-2-one) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3E,3'E)-4,4'-[Ethane-1,2-diylbis(azanediyl)]bis(1,1,1-trifluorobut-3-en-2-one) has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (3E,3'E)-4,4'-[Ethane-1,2-diylbis(azanediyl)]bis(1,1,1-trifluorobut-3-en-2-one) is 134219-74-2.
The molecular formula of (3E,3'E)-4,4'-[Ethane-1,2-diylbis(azanediyl)]bis(1,1,1-trifluorobut-3-en-2-one) is C10H10F6N2O2.
The molecular weight of (3E,3'E)-4,4'-[Ethane-1,2-diylbis(azanediyl)]bis(1,1,1-trifluorobut-3-en-2-one) is 304.06464 g/mol.
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