TL;DR: (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)-2,4-dichlorobenzamide (CAS 1212158-23-0) is a chemical compound with molecular formula C17H16Cl2N4OS and molecular weight 394.04218 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4-dichloro-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)-2,4-dichlorobenzamide, 2,4-dichloro-N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
| Molecular Formula | C17H16Cl2N4OS |
| Molecular Weight | 394.04218 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 84.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 394.04218 Da |
| Heavy Atoms | 25 |
| Complexity | 458.0 |
| SMILES | CSCC[C@@H](C1=NN=C2N1C=CC=C2)NC(=O)C3=C(C=C(C=C3)Cl)Cl |
| InChIKey | FLWCBRQEXFGNSK-AWEZNQCLSA-N |
The XLogP value of 4.3 indicates that (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)-2,4-dichlorobenzamide 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)-2,4-dichlorobenzamide. Following Lipinski's Rule of Five, (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)-2,4-dichlorobenzamide 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)-2,4-dichlorobenzamide is 1212158-23-0.
The molecular formula of (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)-2,4-dichlorobenzamide is C17H16Cl2N4OS.
The molecular weight of (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)-2,4-dichlorobenzamide is 394.04218 g/mol.
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