TL;DR: N-[1,2-Bis(1H-1,2,3-benzotriazol-1-yl)-2-[(3-methylphenyl)amino]ethyl]-3-methylaniline (CAS 151257-58-8) is a chemical compound with molecular formula C28H26N8 and molecular weight 474.22806 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2-bis(benzotriazol-1-yl)-N,N'-bis(3-methylphenyl)ethane-1,2-diamine
Also Known As: N-[1,2-Bis(1H-1,2,3-benzotriazol-1-yl)-2-[(3-methylphenyl)amino]ethyl]-3-methylaniline, 1,2-Bis(1H-benzotriazol-1-yl)-1,2-bis(3-methylanilino)ethane, 1,2-bis(benzotriazol-1-yl)-N,N'-bis(3-methylphenyl)ethane-1,2-diamine, 1,2-bis(benzotriazol-1-yl)-N,N'-bis(m-tolyl)ethane-1,2-diamine, 1,2-dibenzotriazol-1-yl-N,N'-bis(3-methylphenyl)ethane-1,2-diamine
| Molecular Formula | C28H26N8 |
| Molecular Weight | 474.22806 g/mol |
| XLogP | 6.2 |
| Topological Polar Surface Area (TPSA) | 85.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 474.22806 Da |
| Heavy Atoms | 36 |
| Complexity | 649.0 |
| SMILES | CC1=CC(=CC=C1)NC(C(NC2=CC=CC(=C2)C)N3C4=CC=CC=C4N=N3)N5C6=CC=CC=C6N=N5 |
| InChIKey | FDLQSOPQWQJNGW-UHFFFAOYSA-N |
The XLogP value of 6.2 indicates that N-[1,2-Bis(1H-1,2,3-benzotriazol-1-yl)-2-[(3-methylphenyl)amino]ethyl]-3-methylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[1,2-Bis(1H-1,2,3-benzotriazol-1-yl)-2-[(3-methylphenyl)amino]ethyl]-3-methylaniline. Following Lipinski's Rule of Five, N-[1,2-Bis(1H-1,2,3-benzotriazol-1-yl)-2-[(3-methylphenyl)amino]ethyl]-3-methylaniline has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N-[1,2-Bis(1H-1,2,3-benzotriazol-1-yl)-2-[(3-methylphenyl)amino]ethyl]-3-methylaniline is 151257-58-8.
The molecular formula of N-[1,2-Bis(1H-1,2,3-benzotriazol-1-yl)-2-[(3-methylphenyl)amino]ethyl]-3-methylaniline is C28H26N8.
The molecular weight of N-[1,2-Bis(1H-1,2,3-benzotriazol-1-yl)-2-[(3-methylphenyl)amino]ethyl]-3-methylaniline is 474.22806 g/mol.
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