TL;DR: Pyridine, 4-(5-((4-methylphenoxy)methyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)- (CAS 141079-05-2) is a chemical compound with molecular formula C22H20N4O and molecular weight 356.1637 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[5-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyridine
Also Known As: Pyridine, 4-(5-((4-methylphenoxy)methyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)-, 4-(5-((4-Methylphenoxy)methyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)pyridine, 4-[5-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyridine, 4-(5-((4-METHYLPHENOXY)METHYL)-4-(4-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-Y L)PYRIDINE, Pyridine,4-[5-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]-
| Molecular Formula | C22H20N4O |
| Molecular Weight | 356.1637 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 52.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 356.1637 Da |
| Heavy Atoms | 27 |
| Complexity | 440.0 |
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2C3=CC=NC=C3)COC4=CC=C(C=C4)C |
| InChIKey | XJSCRALNUGHQKA-UHFFFAOYSA-N |
The XLogP value of 3.9 indicates that Pyridine, 4-(5-((4-methylphenoxy)methyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.8 Ų, Pyridine, 4-(5-((4-methylphenoxy)methyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyridine, 4-(5-((4-methylphenoxy)methyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)- has 0 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 Pyridine, 4-(5-((4-methylphenoxy)methyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)- is 141079-05-2.
The molecular formula of Pyridine, 4-(5-((4-methylphenoxy)methyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)- is C22H20N4O.
The molecular weight of Pyridine, 4-(5-((4-methylphenoxy)methyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)- is 356.1637 g/mol.
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