TL;DR: (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)-3-chlorobenzamide (CAS 1212383-33-9) is a chemical compound with molecular formula C17H17ClN4OS and molecular weight 360.08115 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chloro-N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
Also Known As: (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)-3-chlorobenzamide, 3-chloro-N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide, 3-chloro-N-[(1S)-3-(methylsulfanyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
| Molecular Formula | C17H17ClN4OS |
| Molecular Weight | 360.08115 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 84.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 360.08115 Da |
| Heavy Atoms | 24 |
| Complexity | 427.0 |
| SMILES | CSCC[C@@H](C1=NN=C2N1C=CC=C2)NC(=O)C3=CC(=CC=C3)Cl |
| InChIKey | QOQVJTFBBGZPOW-AWEZNQCLSA-N |
The XLogP value of 3.7 indicates that (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)-3-chlorobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)-3-chlorobenzamide. Following Lipinski's Rule of Five, (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)-3-chlorobenzamide 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 (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)-3-chlorobenzamide is 1212383-33-9.
The molecular formula of (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)-3-chlorobenzamide is C17H17ClN4OS.
The molecular weight of (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)-3-chlorobenzamide is 360.08115 g/mol.
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