TL;DR: Benzenamine, 4-[2-(4-nitrophenyl)ethenyl]-N-octadecyl- (CAS 110138-83-5) is a chemical compound with molecular formula C32H48N2O2 and molecular weight 492.37158 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[2-(4-nitrophenyl)ethenyl]-N-octadecylaniline
Also Known As: 4-Nitro-4'-(octadecylamino)stilbene, 4-[2-(4-nitrophenyl)ethenyl]-N-octadecylaniline, Benzenamine, 4-[2-(4-nitrophenyl)ethenyl]-N-octadecyl-, N-[4-[2-(4-nitrophenyl)ethenyl]phenyl]octadecan-1-amine
| Molecular Formula | C32H48N2O2 |
| Molecular Weight | 492.37158 g/mol |
| XLogP | 12.8 |
| Topological Polar Surface Area (TPSA) | 57.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 20 |
| Exact Mass | 492.37158 Da |
| Heavy Atoms | 36 |
| Complexity | 543.0 |
| SMILES | CCCCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C=CC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | AGCWNVFSUWACRE-UHFFFAOYSA-N |
The XLogP value of 12.8 indicates that Benzenamine, 4-[2-(4-nitrophenyl)ethenyl]-N-octadecyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.9 Ų, Benzenamine, 4-[2-(4-nitrophenyl)ethenyl]-N-octadecyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenamine, 4-[2-(4-nitrophenyl)ethenyl]-N-octadecyl- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Benzenamine, 4-[2-(4-nitrophenyl)ethenyl]-N-octadecyl- is 110138-83-5.
The molecular formula of Benzenamine, 4-[2-(4-nitrophenyl)ethenyl]-N-octadecyl- is C32H48N2O2.
The molecular weight of Benzenamine, 4-[2-(4-nitrophenyl)ethenyl]-N-octadecyl- is 492.37158 g/mol.
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