TL;DR: (1,2,4,5)Tetrazino(1,6-a:4,3-a'))diquinoline (CAS 13090-26-1) is a chemical compound with molecular formula C18H12N4 and molecular weight 284.1062 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3,13,14-tetrazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1,4,6,8,10,12,15,17,19,21-decaene
Also Known As: (1,2,4,5)Tetrazino(1,6-a:4,3-a'))diquinoline, [1,2,4,5]Tetrazino[1,6-a:4,3-a']diquinoline, <1,2,4,5>Tetrazino<1,6-a:4,3-a'>dichinolin, <1,2,4,5>-tetrazino<1,6-a:4,3-a'>diquinoline, [1,2,4,5]-Tetrazino[1,6-a:4,3-a'])diquinoline
| Molecular Formula | C18H12N4 |
| Molecular Weight | 284.1062 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 31.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 284.1062 Da |
| Heavy Atoms | 22 |
| Complexity | 536.0 |
| SMILES | C1=CC=C2C(=C1)C=CC3=NN4C(=NN32)C=CC5=CC=CC=C54 |
| InChIKey | KIXNSFMKDJYUCX-UHFFFAOYSA-N |
The XLogP value of 4.2 indicates that (1,2,4,5)Tetrazino(1,6-a:4,3-a'))diquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.2 Ų, (1,2,4,5)Tetrazino(1,6-a:4,3-a'))diquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1,2,4,5)Tetrazino(1,6-a:4,3-a'))diquinoline has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (1,2,4,5)Tetrazino(1,6-a:4,3-a'))diquinoline is 13090-26-1.
The molecular formula of (1,2,4,5)Tetrazino(1,6-a:4,3-a'))diquinoline is C18H12N4.
The molecular weight of (1,2,4,5)Tetrazino(1,6-a:4,3-a'))diquinoline is 284.1062 g/mol.
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