TL;DR: (1E)-1,3-bis(4-octylphenyl)triaz-1-ene (CAS 166257-83-6) is a chemical compound with molecular formula C28H43N3 and molecular weight 421.3457 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-octyl-N-[(4-octylphenyl)diazenyl]aniline
Also Known As: (1E)-1,3-bis(4-octylphenyl)triaz-1-ene, 4-octyl-N-(4-octylphenyl)azo-aniline, 4-octyl-N-[(4-octylphenyl)diazenyl]aniline, 4-octyl-N-(4-octylphenyl)diazenyl-aniline, C28H43N3
| Molecular Formula | C28H43N3 |
| Molecular Weight | 421.3457 g/mol |
| XLogP | 12.1 |
| Topological Polar Surface Area (TPSA) | 36.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 17 |
| Exact Mass | 421.3457 Da |
| Heavy Atoms | 31 |
| Complexity | 420.0 |
| SMILES | CCCCCCCCC1=CC=C(C=C1)NN=NC2=CC=C(C=C2)CCCCCCCC |
| InChIKey | OTQIJIHOVBIPOQ-UHFFFAOYSA-N |
The XLogP value of 12.1 indicates that (1E)-1,3-bis(4-octylphenyl)triaz-1-ene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.8 Ų, (1E)-1,3-bis(4-octylphenyl)triaz-1-ene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1E)-1,3-bis(4-octylphenyl)triaz-1-ene has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (1E)-1,3-bis(4-octylphenyl)triaz-1-ene is 166257-83-6.
The molecular formula of (1E)-1,3-bis(4-octylphenyl)triaz-1-ene is C28H43N3.
The molecular weight of (1E)-1,3-bis(4-octylphenyl)triaz-1-ene is 421.3457 g/mol.
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