TL;DR: Pyridine, 2-(2-(dimethylaminoethyl)-3-(2-chlorothenylamino))-, hydrochloride (CAS 63681-03-8) is a chemical compound with molecular formula C14H19Cl2N3S and molecular weight 331.0677 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N'-[(2-chlorothiophen-3-yl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;hydrochloride
Also Known As: WIN 2875, hydrochloride salt, N'-(2-Pyridyl)-N'-(2-chloro-3-thenyl)-N,N-dimethylethylenediamine hydrochloride, Pyridine, 2-(2-(dimethylaminoethyl)-3-(2-chlorothenylamino))-, hydrochloride, n-[(2-chlorothiophen-3-yl)methyl]-n',n'-dimethyl-n-(pyridin-2-yl)ethane-1,2-diamine hydrochloride(1:1), N'-[(2-chlorothiophen-3-yl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine hydrochloride
| Molecular Formula | C14H19Cl2N3S |
| Molecular Weight | 331.0677 g/mol |
| XLogP | 3.79 |
| Topological Polar Surface Area (TPSA) | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 331.0677 Da |
| Heavy Atoms | 20 |
| Complexity | 265.0 |
| SMILES | CN(C)CCN(CC1=C(SC=C1)Cl)C2=CC=CC=N2.Cl |
| InChIKey | SAFVVFONEIASRF-UHFFFAOYSA-N |
The XLogP value of 3.79 indicates that Pyridine, 2-(2-(dimethylaminoethyl)-3-(2-chlorothenylamino))-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, Pyridine, 2-(2-(dimethylaminoethyl)-3-(2-chlorothenylamino))-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyridine, 2-(2-(dimethylaminoethyl)-3-(2-chlorothenylamino))-, hydrochloride 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 Pyridine, 2-(2-(dimethylaminoethyl)-3-(2-chlorothenylamino))-, hydrochloride is 63681-03-8.
The molecular formula of Pyridine, 2-(2-(dimethylaminoethyl)-3-(2-chlorothenylamino))-, hydrochloride is C14H19Cl2N3S.
The molecular weight of Pyridine, 2-(2-(dimethylaminoethyl)-3-(2-chlorothenylamino))-, hydrochloride is 331.0677 g/mol.
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