TL;DR: 1H-Indole, 5-(methylthio)-3-(1-propyl-1,2,3,6-tetrahydro-4-pyridinyl)-, monohydrochloride (CAS 109793-72-8) is a chemical compound with molecular formula C17H23ClN2S and molecular weight 322.12704 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-methylsulfanyl-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;hydrochloride
Also Known As: 1H-Indole, 5-(methylthio)-3-(1-propyl-1,2,3,6-tetrahydro-4-pyridinyl)-, monohydrochloride, 5-(Methylthio)-3-(1-propyl-1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole hydrochloride, 5-methylsulfanyl-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole hydrochloride, 5-(Methylsulfanyl)-3-(1-propyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole--hydrogen chloride (1/1)
| Molecular Formula | C17H23ClN2S |
| Molecular Weight | 322.12704 g/mol |
| XLogP | 4.8107 |
| Topological Polar Surface Area (TPSA) | 44.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 322.12704 Da |
| Heavy Atoms | 21 |
| Complexity | 355.0 |
| SMILES | CCCN1CCC(=CC1)C2=CNC3=C2C=C(C=C3)SC.Cl |
| InChIKey | NURNIXYAORYEMY-UHFFFAOYSA-N |
The XLogP value of 4.8107 indicates that 1H-Indole, 5-(methylthio)-3-(1-propyl-1,2,3,6-tetrahydro-4-pyridinyl)-, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.3 Ų, 1H-Indole, 5-(methylthio)-3-(1-propyl-1,2,3,6-tetrahydro-4-pyridinyl)-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Indole, 5-(methylthio)-3-(1-propyl-1,2,3,6-tetrahydro-4-pyridinyl)-, monohydrochloride has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1H-Indole, 5-(methylthio)-3-(1-propyl-1,2,3,6-tetrahydro-4-pyridinyl)-, monohydrochloride is 109793-72-8.
The molecular formula of 1H-Indole, 5-(methylthio)-3-(1-propyl-1,2,3,6-tetrahydro-4-pyridinyl)-, monohydrochloride is C17H23ClN2S.
The molecular weight of 1H-Indole, 5-(methylthio)-3-(1-propyl-1,2,3,6-tetrahydro-4-pyridinyl)-, monohydrochloride is 322.12704 g/mol.
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