TL;DR: 3-Pyridazinamine, 6-(4-chlorophenyl)-N-(2-(dimethylamino)ethyl)-4-phenyl- (CAS 118516-22-6) is a chemical compound with molecular formula C20H21ClN4 and molecular weight 352.14548 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[6-(4-chlorophenyl)-4-phenylpyridazin-3-yl]-N',N'-dimethylethane-1,2-diamine
Also Known As: 3-Pyridazinamine, 6-(4-chlorophenyl)-N-(2-(dimethylamino)ethyl)-4-phenyl-, 6-(4-Chlorophenyl)-N-(2-(dimethylamino)ethyl)-4-phenyl-3-pyridazinamine, 1,2-Ethanediamine, N'-(6-(4-chlorophenyl)-4-phenyl-3-pyridazinyl)-N,N-dimethyl-, N-[6-(4-chlorophenyl)-4-phenylpyridazin-3-yl]-N',N'-dimethylethane-1,2-diamine, N~2~-[6-(4-Chlorophenyl)-4-phenylpyridazin-3-yl]-N~1~,N~1~-dimethylethane-1,2-diamine
| Molecular Formula | C20H21ClN4 |
| Molecular Weight | 352.14548 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 41.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 352.14548 Da |
| Heavy Atoms | 25 |
| Complexity | 378.0 |
| SMILES | CN(C)CCNC1=NN=C(C=C1C2=CC=CC=C2)C3=CC=C(C=C3)Cl |
| InChIKey | MPDTZGJKYHCEKO-UHFFFAOYSA-N |
The XLogP value of 4.4 indicates that 3-Pyridazinamine, 6-(4-chlorophenyl)-N-(2-(dimethylamino)ethyl)-4-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.1 Ų, 3-Pyridazinamine, 6-(4-chlorophenyl)-N-(2-(dimethylamino)ethyl)-4-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pyridazinamine, 6-(4-chlorophenyl)-N-(2-(dimethylamino)ethyl)-4-phenyl- 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 3-Pyridazinamine, 6-(4-chlorophenyl)-N-(2-(dimethylamino)ethyl)-4-phenyl- is 118516-22-6.
The molecular formula of 3-Pyridazinamine, 6-(4-chlorophenyl)-N-(2-(dimethylamino)ethyl)-4-phenyl- is C20H21ClN4.
The molecular weight of 3-Pyridazinamine, 6-(4-chlorophenyl)-N-(2-(dimethylamino)ethyl)-4-phenyl- is 352.14548 g/mol.
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