TL;DR: 4-Methylthio-2-phenyl-6-(3-propan-2-yloxyphenyl)pyridine (CAS 136490-05-6) is a chemical compound with molecular formula C21H21NOS and molecular weight 335.1344 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methylsulfanyl-2-phenyl-6-(3-propan-2-yloxyphenyl)pyridine
Also Known As: 4-Methylthio-2-phenyl-6-(3-propan-2-yloxyphenyl)pyridine, 4-methylsulfanyl-2-phenyl-6-(3-propan-2-yloxyphenyl)pyridine, Pyridine, 4-methylthio-2-phenyl-6-(3-propan-2-yloxyphenyl)-, 4-(Methylsulfanyl)-2-phenyl-6-{3-[(propan-2-yl)oxy]phenyl}pyridine
| Molecular Formula | C21H21NOS |
| Molecular Weight | 335.1344 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 47.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.1344 Da |
| Heavy Atoms | 24 |
| Complexity | 369.0 |
| SMILES | CC(C)OC1=CC=CC(=C1)C2=CC(=CC(=N2)C3=CC=CC=C3)SC |
| InChIKey | UFFKPGBPDQQDQJ-UHFFFAOYSA-N |
The XLogP value of 5.5 indicates that 4-Methylthio-2-phenyl-6-(3-propan-2-yloxyphenyl)pyridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.4 Ų, 4-Methylthio-2-phenyl-6-(3-propan-2-yloxyphenyl)pyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylthio-2-phenyl-6-(3-propan-2-yloxyphenyl)pyridine has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 4-Methylthio-2-phenyl-6-(3-propan-2-yloxyphenyl)pyridine is 136490-05-6.
The molecular formula of 4-Methylthio-2-phenyl-6-(3-propan-2-yloxyphenyl)pyridine is C21H21NOS.
The molecular weight of 4-Methylthio-2-phenyl-6-(3-propan-2-yloxyphenyl)pyridine is 335.1344 g/mol.
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