TL;DR: DU 717 (CAS 59943-31-6) is a chemical compound with molecular formula C12H15ClN4O2S and molecular weight 314.06042 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-chloro-3-(4-methylpiperazin-1-yl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
Also Known As: DU717, DU 717, HY-U00182, 2H-1,2,4-BENZOTHIADIAZINE, 7-CHLORO-3-(4-METHYL-1-PIPERAZINYL)-, 1,1-DIOXIDE, 7-chloro-3-(4-methylpiperazin-1-yl)-4H-1
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C12H15ClN4O2S |
| Molecular Weight | 314.06042 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 73.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 314.06042 Da |
| Heavy Atoms | 20 |
| Complexity | 496.0 |
| SMILES | CN1CCN(CC1)C2=NS(=O)(=O)C3=C(N2)C=CC(=C3)Cl |
| InChIKey | JPZVJONKWYICFB-UHFFFAOYSA-N |
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for DU 717. The TPSA of 73.4 Ų falls within the moderate polarity range, balancing permeability and solubility for DU 717. Following Lipinski's Rule of Five, DU 717 has 1 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 DU 717 is 59943-31-6.
The molecular formula of DU 717 is C12H15ClN4O2S.
The molecular weight of DU 717 is 314.06042 g/mol.
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