TL;DR: (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)-2-(3,4-dimethylphenoxy)acetamide (CAS 1212202-78-2) is a chemical compound with molecular formula C20H24N4O2S and molecular weight 384.162 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3,4-dimethylphenoxy)-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-(3,4-dimethylphenoxy)acetamide, 2-(3,4-dimethylphenoxy)-N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
| Molecular Formula | C20H24N4O2S |
| Molecular Weight | 384.162 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 93.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 384.162 Da |
| Heavy Atoms | 27 |
| Complexity | 481.0 |
| SMILES | CC1=C(C=C(C=C1)OCC(=O)N[C@@H](CCSC)C2=NN=C3N2C=CC=C3)C |
| InChIKey | PABPVRSTGDUHOK-KRWDZBQOSA-N |
The XLogP value of 3.8 indicates that (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)-2-(3,4-dimethylphenoxy)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.8 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-(3,4-dimethylphenoxy)acetamide. Following Lipinski's Rule of Five, (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)-2-(3,4-dimethylphenoxy)acetamide has 1 hydrogen bond donor(s) and 5 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-(3,4-dimethylphenoxy)acetamide is 1212202-78-2.
The molecular formula of (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)-2-(3,4-dimethylphenoxy)acetamide is C20H24N4O2S.
The molecular weight of (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)-2-(3,4-dimethylphenoxy)acetamide is 384.162 g/mol.
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