TL;DR: 2-Chloro-13-phenyl-6-((4-phenyl-1-piperazinyl)methyl)-5H-dibenzo(d,h)(1,3,6)triazonine (CAS 107470-02-0) is a chemical compound with molecular formula C31H28ClN5 and molecular weight 505.20334 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-13-phenyl-6-[(4-phenylpiperazin-1-yl)methyl]-12H-benzo[d][1,3,7]benzotriazonine
Also Known As: 2-Chloro-13-phenyl-6-((4-phenyl-1-piperazinyl)methyl)-5H-dibenzo(d,h)(1,3,6)triazonine, 5H-Dibenzo(d,h)(1,3,6)triazonine, 2-chloro-13-phenyl-6-((4-phenyl-1-piperazinyl)methyl)-, 2-chloro-13-phenyl-6-[(4-phenylpiperazin-1-yl)methyl]-12H-benzo[d][1,3,7]benzotriazonine
| Molecular Formula | C31H28ClN5 |
| Molecular Weight | 505.20334 g/mol |
| XLogP | 6.8 |
| Topological Polar Surface Area (TPSA) | 48.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 505.20334 Da |
| Heavy Atoms | 37 |
| Complexity | 687.0 |
| SMILES | C1CN(CCN1CC2=NC3=CC=CC=C3NC(=C4C=C(C=CC4=N2)Cl)C5=CC=CC=C5)C6=CC=CC=C6 |
| InChIKey | PNFFTQDMNIICSI-UHFFFAOYSA-N |
The XLogP value of 6.8 indicates that 2-Chloro-13-phenyl-6-((4-phenyl-1-piperazinyl)methyl)-5H-dibenzo(d,h)(1,3,6)triazonine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.1 Ų, 2-Chloro-13-phenyl-6-((4-phenyl-1-piperazinyl)methyl)-5H-dibenzo(d,h)(1,3,6)triazonine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-13-phenyl-6-((4-phenyl-1-piperazinyl)methyl)-5H-dibenzo(d,h)(1,3,6)triazonine has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-Chloro-13-phenyl-6-((4-phenyl-1-piperazinyl)methyl)-5H-dibenzo(d,h)(1,3,6)triazonine is 107470-02-0.
The molecular formula of 2-Chloro-13-phenyl-6-((4-phenyl-1-piperazinyl)methyl)-5H-dibenzo(d,h)(1,3,6)triazonine is C31H28ClN5.
The molecular weight of 2-Chloro-13-phenyl-6-((4-phenyl-1-piperazinyl)methyl)-5H-dibenzo(d,h)(1,3,6)triazonine is 505.20334 g/mol.
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