TL;DR: 2-(1H-benzo[d][1,2,3]triazol-1-yl)-3-((3-(trifluoromethyl)phenyl)amino)naphthalene-1,4-dione (CAS 385387-33-7) is a chemical compound with molecular formula C23H13F3N4O2 and molecular weight 434.09906 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(benzotriazol-1-yl)-3-[3-(trifluoromethyl)anilino]naphthalene-1,4-dione
Also Known As: 2-(1H-benzo[d][1,2,3]triazol-1-yl)-3-((3-(trifluoromethyl)phenyl)amino)naphthalene-1,4-dione, F1273-0027, 2-(1H-1,2,3-benzotriazol-1-yl)-3-{[3-(trifluoromethyl)phenyl]amino}-1,4-dihydronaphthalene-1,4-dione, 2-(benzotriazol-1-yl)-3-[3-(trifluoromethyl)anilino]naphthalene-1,4-dione, 2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-3-[3-(TRIFLUOROMETHYL)ANILINO]NAPHTHOQUINONE
| Molecular Formula | C23H13F3N4O2 |
| Molecular Weight | 434.09906 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 76.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 434.09906 Da |
| Heavy Atoms | 32 |
| Complexity | 799.0 |
| SMILES | C1=CC=C2C(=C1)C(=O)C(=C(C2=O)N3C4=CC=CC=C4N=N3)NC5=CC=CC(=C5)C(F)(F)F |
| InChIKey | LXADAEFMDHKHSL-UHFFFAOYSA-N |
The XLogP value of 5.1 indicates that 2-(1H-benzo[d][1,2,3]triazol-1-yl)-3-((3-(trifluoromethyl)phenyl)amino)naphthalene-1,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1H-benzo[d][1,2,3]triazol-1-yl)-3-((3-(trifluoromethyl)phenyl)amino)naphthalene-1,4-dione. Following Lipinski's Rule of Five, 2-(1H-benzo[d][1,2,3]triazol-1-yl)-3-((3-(trifluoromethyl)phenyl)amino)naphthalene-1,4-dione has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-(1H-benzo[d][1,2,3]triazol-1-yl)-3-((3-(trifluoromethyl)phenyl)amino)naphthalene-1,4-dione is 385387-33-7.
The molecular formula of 2-(1H-benzo[d][1,2,3]triazol-1-yl)-3-((3-(trifluoromethyl)phenyl)amino)naphthalene-1,4-dione is C23H13F3N4O2.
The molecular weight of 2-(1H-benzo[d][1,2,3]triazol-1-yl)-3-((3-(trifluoromethyl)phenyl)amino)naphthalene-1,4-dione is 434.09906 g/mol.
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