TL;DR: Cyclopentanone (4-chloro-1-phthalazinyl)hydrazone (CAS 109771-98-4) is a chemical compound with molecular formula C13H13ClN4 and molecular weight 260.0829 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-N-(cyclopentylideneamino)phthalazin-1-amine
Also Known As: 4-chloro-N-(cyclopentylideneamino)phthalazin-1-amine, AN-604/40681650, cyclopentanone (4-chloro-1-phthalazinyl)hydrazone, 1-chloro-4-(2-cyclopentylidenehydrazinyl)phthalazine, 4-chloro-1(2H)-phthalazinone cyclopentylidenehydrazone
| Molecular Formula | C13H13ClN4 |
| Molecular Weight | 260.0829 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 50.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 260.0829 Da |
| Heavy Atoms | 18 |
| Complexity | 312.0 |
| SMILES | C1CCC(=NNC2=NN=C(C3=CC=CC=C32)Cl)C1 |
| InChIKey | ZWHQQFNVFAAUNN-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that Cyclopentanone (4-chloro-1-phthalazinyl)hydrazone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.2 Ų, Cyclopentanone (4-chloro-1-phthalazinyl)hydrazone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclopentanone (4-chloro-1-phthalazinyl)hydrazone has 1 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 Cyclopentanone (4-chloro-1-phthalazinyl)hydrazone is 109771-98-4.
The molecular formula of Cyclopentanone (4-chloro-1-phthalazinyl)hydrazone is C13H13ClN4.
The molecular weight of Cyclopentanone (4-chloro-1-phthalazinyl)hydrazone is 260.0829 g/mol.
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