TL;DR: Pyridine, 1,2,3,6-tetrahydro-1-ethyl-5-phenyl-, hydrochloride (CAS 109904-51-0) is a chemical compound with molecular formula C13H18ClN and molecular weight 223.11278 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-ethyl-5-phenyl-3,6-dihydro-2H-pyridine;hydrochloride
Also Known As: CRL 41124, Pyridine, 1,2,3,6-tetrahydro-1-ethyl-5-phenyl-, hydrochloride, 1,2,3,6-Tetrahydro-1-ethyl-5-phenylpyridine hydrochloride, N-Ethyl-3-phenyl-1,2,5,6-tetrahydropyridine hydrochloride, 1-ethyl-5-phenyl-3,6-dihydro-2H-pyridine hydrochloride
| Molecular Formula | C13H18ClN |
| Molecular Weight | 223.11278 g/mol |
| XLogP | 3.2174 |
| Topological Polar Surface Area (TPSA) | 3.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.11278 Da |
| Heavy Atoms | 15 |
| Complexity | 201.0 |
| SMILES | CCN1CCC=C(C1)C2=CC=CC=C2.Cl |
| InChIKey | YLKAUGSVSFTTEO-UHFFFAOYSA-N |
The XLogP value of 3.2174 indicates that Pyridine, 1,2,3,6-tetrahydro-1-ethyl-5-phenyl-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, Pyridine, 1,2,3,6-tetrahydro-1-ethyl-5-phenyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyridine, 1,2,3,6-tetrahydro-1-ethyl-5-phenyl-, hydrochloride has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Pyridine, 1,2,3,6-tetrahydro-1-ethyl-5-phenyl-, hydrochloride is 109904-51-0.
The molecular formula of Pyridine, 1,2,3,6-tetrahydro-1-ethyl-5-phenyl-, hydrochloride is C13H18ClN.
The molecular weight of Pyridine, 1,2,3,6-tetrahydro-1-ethyl-5-phenyl-, hydrochloride is 223.11278 g/mol.
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