TL;DR: Cinnolinium, 8-chloro-4-hydroxy-2-(2-(4-methyl-1-piperazinyl)-2-oxoethyl)-, inner salt (CAS 158631-83-5) is a chemical compound with molecular formula C15H17ClN4O2 and molecular weight 320.104 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-chloro-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cinnolin-2-ium-4-olate
Also Known As: Cinnolinium, 8-chloro-4-hydroxy-2-(2-(4-methyl-1-piperazinyl)-2-oxoethyl)-, inner salt, 8-Chloro-4-hydroxy-2-(2-(4-methyl-1-piperazinyl)-2-oxoethyl)cinnolinium inner salt, 8-chloro-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cinnolin-2-ium-4-olate, 8-chloro-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cinnolin-2
| Molecular Formula | C15H17ClN4O2 |
| Molecular Weight | 320.104 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 63.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 320.104 Da |
| Heavy Atoms | 22 |
| Complexity | 403.0 |
| SMILES | CN1CCN(CC1)C(=O)C[N+]2=NC3=C(C=CC=C3Cl)C(=C2)[O-] |
| InChIKey | YVNXKPOSPMHMJD-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cinnolinium, 8-chloro-4-hydroxy-2-(2-(4-methyl-1-piperazinyl)-2-oxoethyl)-, inner salt. The TPSA of 63.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Cinnolinium, 8-chloro-4-hydroxy-2-(2-(4-methyl-1-piperazinyl)-2-oxoethyl)-, inner salt. Following Lipinski's Rule of Five, Cinnolinium, 8-chloro-4-hydroxy-2-(2-(4-methyl-1-piperazinyl)-2-oxoethyl)-, inner salt has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Cinnolinium, 8-chloro-4-hydroxy-2-(2-(4-methyl-1-piperazinyl)-2-oxoethyl)-, inner salt is 158631-83-5.
The molecular formula of Cinnolinium, 8-chloro-4-hydroxy-2-(2-(4-methyl-1-piperazinyl)-2-oxoethyl)-, inner salt is C15H17ClN4O2.
The molecular weight of Cinnolinium, 8-chloro-4-hydroxy-2-(2-(4-methyl-1-piperazinyl)-2-oxoethyl)-, inner salt is 320.104 g/mol.
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