TL;DR: [12-(4-Ethylphenyl)dodecyl] 2-nitrophenyl ether (CAS 155056-63-6) is a chemical compound with molecular formula C26H37NO3 and molecular weight 411.27734 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[12-(4-ethylphenyl)dodecoxy]-2-nitrobenzene
Also Known As: [12-(4-Ethylphenyl)dodecyl] 2-nitrophenyl ether|ETH 8045|1-[12-(4-ethylphenyl)dodecoxy]-2-nitrobenzene|ETH-8045|J1.010.365G|1-(4-ethylphenyl)-12-(2-nitrophenoxy)dodecane|12-(4-Ethylphenyl)dodecyl(2-nitrophenyl) ether|2-[12-(4-ethylphenyl)dodecyloxy]-1-nitrobenzene|[12-(4-Ethylphenyl)dodecyl](2-nitrophenyl) ether|[12-(4-ETHYLPHENYL)DODECYL]2-NITROPHENYLETHER|1-((12-(4-Ethylphenyl)dodecyl)oxy)-2-nitrobenzene|1-{[12-(4-Ethylphenyl)dodecyl]oxy}-2-nitrobenzene|1-ETHYL-4-[12-(2-NITROPHENOXY)DODECYL]BENZENE|[12-(4-Ethylphenyl)dodecyl] 2-nitrophenyl ether, Selectophore(TM), >=95.0%|ST51016047
| Molecular Formula | C26H37NO3 |
| Molecular Weight | 411.27734 g/mol |
| XLogP | 9.5 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 15 |
| Exact Mass | 411.27734 Da |
| Heavy Atoms | 30 |
| Complexity | 428.0 |
| SMILES | CCC1=CC=C(C=C1)CCCCCCCCCCCCOC2=CC=CC=C2[N+](=O)[O-] |
| InChIKey | KTBRGUBCCOJFFI-UHFFFAOYSA-N |
The XLogP value of 9.5 indicates that [12-(4-Ethylphenyl)dodecyl] 2-nitrophenyl ether is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, [12-(4-Ethylphenyl)dodecyl] 2-nitrophenyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [12-(4-Ethylphenyl)dodecyl] 2-nitrophenyl ether has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of [12-(4-Ethylphenyl)dodecyl] 2-nitrophenyl ether is 155056-63-6.
The molecular formula of [12-(4-Ethylphenyl)dodecyl] 2-nitrophenyl ether is C26H37NO3.
The molecular weight of [12-(4-Ethylphenyl)dodecyl] 2-nitrophenyl ether is 411.27734 g/mol.
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