TL;DR: 2-(3-(4-(2-Ethylbutyl)phenoxy)propoxy)-4-methylpyridine (CAS 128631-96-9) is a chemical compound with molecular formula C21H29NO2 and molecular weight 327.21982 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-[4-(2-ethylbutyl)phenoxy]propoxy]-4-methylpyridine
Also Known As: 2-(3-(4-(2-Ethylbutyl)phenoxy)propoxy)-4-methylpyridine, 2-[3-[4-(2-ethylbutyl)phenoxy]propoxy]-4-methyl-pyridine, 2-[3-[4-(2-ethylbutyl)phenoxy]propoxy]-4-methylpyridine, 2-{3-[4-(2-ethylbutyl)phenoxy]propoxy}-4-methylpyridine
| Molecular Formula | C21H29NO2 |
| Molecular Weight | 327.21982 g/mol |
| XLogP | 6.2 |
| Topological Polar Surface Area (TPSA) | 31.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 327.21982 Da |
| Heavy Atoms | 24 |
| Complexity | 311.0 |
| SMILES | CCC(CC)CC1=CC=C(C=C1)OCCCOC2=NC=CC(=C2)C |
| InChIKey | DTNFNKZSLSAKHE-UHFFFAOYSA-N |
The XLogP value of 6.2 indicates that 2-(3-(4-(2-Ethylbutyl)phenoxy)propoxy)-4-methylpyridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.4 Ų, 2-(3-(4-(2-Ethylbutyl)phenoxy)propoxy)-4-methylpyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-(4-(2-Ethylbutyl)phenoxy)propoxy)-4-methylpyridine has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-(3-(4-(2-Ethylbutyl)phenoxy)propoxy)-4-methylpyridine is 128631-96-9.
The molecular formula of 2-(3-(4-(2-Ethylbutyl)phenoxy)propoxy)-4-methylpyridine is C21H29NO2.
The molecular weight of 2-(3-(4-(2-Ethylbutyl)phenoxy)propoxy)-4-methylpyridine is 327.21982 g/mol.
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