TL;DR: 1,3-Propanediamine, N,N-dimethyl-N'-(6-(4-fluorophenyl)-4-phenyl-3-pyridazinyl)- (CAS 118516-23-7) is a chemical compound with molecular formula C21H23FN4 and molecular weight 350.19067 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[6-(4-fluorophenyl)-4-phenylpyridazin-3-yl]-N',N'-dimethylpropane-1,3-diamine
Also Known As: 1,3-Propanediamine, N,N-dimethyl-N'-(6-(4-fluorophenyl)-4-phenyl-3-pyridazinyl)-, N,N-Dimethyl-N'-(6-(4-fluorophenyl)-4-phenyl-3-pyridazinyl)-1,3-propanediamine, N-[6-(4-fluorophenyl)-4-phenylpyridazin-3-yl]-N',N'-dimethylpropane-1,3-diamine, N~3~-[6-(4-Fluorophenyl)-4-phenylpyridazin-3-yl]-N~1~,N~1~-dimethylpropane-1,3-diamine
| Molecular Formula | C21H23FN4 |
| Molecular Weight | 350.19067 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 41.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 350.19067 Da |
| Heavy Atoms | 26 |
| Complexity | 391.0 |
| SMILES | CN(C)CCCNC1=NN=C(C=C1C2=CC=CC=C2)C3=CC=C(C=C3)F |
| InChIKey | NCOLEQQFBDYUNI-UHFFFAOYSA-N |
The XLogP value of 4.2 indicates that 1,3-Propanediamine, N,N-dimethyl-N'-(6-(4-fluorophenyl)-4-phenyl-3-pyridazinyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.1 Ų, 1,3-Propanediamine, N,N-dimethyl-N'-(6-(4-fluorophenyl)-4-phenyl-3-pyridazinyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Propanediamine, N,N-dimethyl-N'-(6-(4-fluorophenyl)-4-phenyl-3-pyridazinyl)- has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,3-Propanediamine, N,N-dimethyl-N'-(6-(4-fluorophenyl)-4-phenyl-3-pyridazinyl)- is 118516-23-7.
The molecular formula of 1,3-Propanediamine, N,N-dimethyl-N'-(6-(4-fluorophenyl)-4-phenyl-3-pyridazinyl)- is C21H23FN4.
The molecular weight of 1,3-Propanediamine, N,N-dimethyl-N'-(6-(4-fluorophenyl)-4-phenyl-3-pyridazinyl)- is 350.19067 g/mol.
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