TL;DR: 2-Azetidinone, 1,1'-(1,4-phthalazinediyldiimino)bis(3-chloro-4-propyl- (CAS 139108-64-8) is a chemical compound with molecular formula C20H24Cl2N6O2 and molecular weight 450.1338 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chloro-1-[[4-[(3-chloro-2-oxo-4-propylazetidin-1-yl)amino]phthalazin-1-yl]amino]-4-propylazetidin-2-one
Also Known As: 1,1'-(1,4-Phthalazinediyldiimino)bis(3-chloro-4-propyl-2-azetidinone), 2-Azetidinone, 1,1'-(1,4-phthalazinediyldiimino)bis(3-chloro-4-propyl-, 1,1'-(Phthalazine-1,4-diyldiazanediyl)bis(3-chloro-4-propylazetidin-2-one), 1,1'-[Phthalazine-1,4-diylbis(azanediyl)]bis(3-chloro-4-propylazetidin-2-one), 3-chloro-1-[[4-[(3-chloro-2-oxo-4-propylazetidin-1-yl)amino]phthalazin-1-yl]amino]-4-propylazetidin-2-one
| Molecular Formula | C20H24Cl2N6O2 |
| Molecular Weight | 450.1338 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 90.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 450.1338 Da |
| Heavy Atoms | 30 |
| Complexity | 601.0 |
| SMILES | CCCC1C(C(=O)N1NC2=NN=C(C3=CC=CC=C32)NN4C(C(C4=O)Cl)CCC)Cl |
| InChIKey | GAERCAJVDFQFIP-UHFFFAOYSA-N |
The XLogP value of 4.6 indicates that 2-Azetidinone, 1,1'-(1,4-phthalazinediyldiimino)bis(3-chloro-4-propyl- 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-propyl-. Following Lipinski's Rule of Five, 2-Azetidinone, 1,1'-(1,4-phthalazinediyldiimino)bis(3-chloro-4-propyl- has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Azetidinone, 1,1'-(1,4-phthalazinediyldiimino)bis(3-chloro-4-propyl- is 139108-64-8.
The molecular formula of 2-Azetidinone, 1,1'-(1,4-phthalazinediyldiimino)bis(3-chloro-4-propyl- is C20H24Cl2N6O2.
The molecular weight of 2-Azetidinone, 1,1'-(1,4-phthalazinediyldiimino)bis(3-chloro-4-propyl- is 450.1338 g/mol.
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