TL;DR: 2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-(4-methylcyclohexyl)acetamide (CAS 1003494-11-8) is a chemical compound with molecular formula C16H18ClF3N4OS and molecular weight 406.0842 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-(4-methylcyclohexyl)acetamide
Also Known As: 2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-(4-methylcyclohexyl)acetamide, 2-[[8-Chloro-6-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyridin-3-yl]thio]-N-(4-methylcyclohexyl)acetamide
| Molecular Formula | C16H18ClF3N4OS |
| Molecular Weight | 406.0842 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 84.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.0842 Da |
| Heavy Atoms | 26 |
| Complexity | 504.0 |
| SMILES | CC1CCC(CC1)NC(=O)CSC2=NN=C3N2C=C(C=C3Cl)C(F)(F)F |
| InChIKey | NQJFCGCOMVDHET-UHFFFAOYSA-N |
The XLogP value of 4.9 indicates that 2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-(4-methylcyclohexyl)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 2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-(4-methylcyclohexyl)acetamide. Following Lipinski's Rule of Five, 2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-(4-methylcyclohexyl)acetamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-(4-methylcyclohexyl)acetamide is 1003494-11-8.
The molecular formula of 2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-(4-methylcyclohexyl)acetamide is C16H18ClF3N4OS.
The molecular weight of 2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-(4-methylcyclohexyl)acetamide is 406.0842 g/mol.
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