TL;DR: 2-Azetidinone, 1,1'-(1,4-phthalazinediyldiimino)bis(3-chloro-4-(4-fluorophenyl)- (CAS 139108-70-6) is a chemical compound with molecular formula C26H18Cl2F2N6O2 and molecular weight 554.0836 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chloro-1-[[4-[[3-chloro-2-(4-fluorophenyl)-4-oxoazetidin-1-yl]amino]phthalazin-1-yl]amino]-4-(4-fluorophenyl)azetidin-2-one
Also Known As: 1,1'-(1,4-Phthalazinediyldiimino)bis(3-chloro-4-(4-fluorophenyl)-2-azetidinone), 2-Azetidinone, 1,1'-(1,4-phthalazinediyldiimino)bis(3-chloro-4-(4-fluorophenyl)-, 1,1'-(Phthalazine-1,4-diyldiazanediyl)bis[3-chloro-4-(4-fluorophenyl)azetidin-2-one], 1,1'-[Phthalazine-1,4-diylbis(azanediyl)]bis[3-chloro-4-(4-fluorophenyl)azetidin-2-one], 3-chloro-1-[[4-[[3-chloro-2-(4-fluorophenyl)-4-oxoazetidin-1-yl]amino]phthalazin-1-yl]amino]-4-(4-fluorophenyl)azetidin-2-one
| Molecular Formula | C26H18Cl2F2N6O2 |
| Molecular Weight | 554.0836 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 90.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 554.0836 Da |
| Heavy Atoms | 38 |
| Complexity | 820.0 |
| SMILES | C1=CC=C2C(=C1)C(=NN=C2NN3C(C(C3=O)Cl)C4=CC=C(C=C4)F)NN5C(C(C5=O)Cl)C6=CC=C(C=C6)F |
| InChIKey | BPJGHIJKPVXTBR-UHFFFAOYSA-N |
The XLogP value of 5.2 indicates that 2-Azetidinone, 1,1'-(1,4-phthalazinediyldiimino)bis(3-chloro-4-(4-fluorophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Azetidinone, 1,1'-(1,4-phthalazinediyldiimino)bis(3-chloro-4-(4-fluorophenyl)-. Following Lipinski's Rule of Five, 2-Azetidinone, 1,1'-(1,4-phthalazinediyldiimino)bis(3-chloro-4-(4-fluorophenyl)- has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-Azetidinone, 1,1'-(1,4-phthalazinediyldiimino)bis(3-chloro-4-(4-fluorophenyl)- is 139108-70-6.
The molecular formula of 2-Azetidinone, 1,1'-(1,4-phthalazinediyldiimino)bis(3-chloro-4-(4-fluorophenyl)- is C26H18Cl2F2N6O2.
The molecular weight of 2-Azetidinone, 1,1'-(1,4-phthalazinediyldiimino)bis(3-chloro-4-(4-fluorophenyl)- is 554.0836 g/mol.
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