TL;DR: (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)-2-(2,6-dichlorophenyl)acetamide (CAS 1212402-28-2) is a chemical compound with molecular formula C18H18Cl2N4OS and molecular weight 408.05783 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2,6-dichlorophenyl)-N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
Also Known As: (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)-2-(2,6-dichlorophenyl)acetamide, 2-(2,6-dichlorophenyl)-N-[(1S)-3-(methylsulfanyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide, 2-(2,6-dichlorophenyl)-N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
| Molecular Formula | C18H18Cl2N4OS |
| Molecular Weight | 408.05783 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 84.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 408.05783 Da |
| Heavy Atoms | 26 |
| Complexity | 462.0 |
| SMILES | CSCC[C@@H](C1=NN=C2N1C=CC=C2)NC(=O)CC3=C(C=CC=C3Cl)Cl |
| InChIKey | IBFNMDRKFPJADO-HNNXBMFYSA-N |
The XLogP value of 4.2 indicates that (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)-2-(2,6-dichlorophenyl)acetamide 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)-2-(2,6-dichlorophenyl)acetamide. Following Lipinski's Rule of Five, (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)-2-(2,6-dichlorophenyl)acetamide 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)-2-(2,6-dichlorophenyl)acetamide is 1212402-28-2.
The molecular formula of (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)-2-(2,6-dichlorophenyl)acetamide is C18H18Cl2N4OS.
The molecular weight of (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)-2-(2,6-dichlorophenyl)acetamide is 408.05783 g/mol.
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