TL;DR: 1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-2-(3-(dimethylamino)propyl)-, 5,5-dioxide (CAS 126598-42-3) is a chemical compound with molecular formula C15H18N4O3S and molecular weight 334.10995 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-(dimethylamino)propyl]-5,5-dioxo-10H-pyridazino[4,5-b][1,4]benzothiazin-1-one
Also Known As: 1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-2-(3-(dimethylamino)propyl)-, 5,5-dioxide, 2-[3-(dimethylamino)propyl]-5,5-dioxo-3H-pyridazino[4,5-b][1,4]benzothiazin-1-one, 2-[3-(Dimethylamino)propyl]-2,3-dihydro-5lambda~6~-pyridazino[4,5-b][1,4]benzothiazine-1,5,5-trione
| Molecular Formula | C15H18N4O3S |
| Molecular Weight | 334.10995 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 90.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 334.10995 Da |
| Heavy Atoms | 23 |
| Complexity | 648.0 |
| SMILES | CN(C)CCCN1C(=O)C2=C(C=N1)S(=O)(=O)C3=CC=CC=C3N2 |
| InChIKey | XJZWTKQAXXGUCF-UHFFFAOYSA-N |
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-2-(3-(dimethylamino)propyl)-, 5,5-dioxide. The TPSA of 90.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-2-(3-(dimethylamino)propyl)-, 5,5-dioxide. Following Lipinski's Rule of Five, 1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-2-(3-(dimethylamino)propyl)-, 5,5-dioxide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-2-(3-(dimethylamino)propyl)-, 5,5-dioxide is 126598-42-3.
The molecular formula of 1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-2-(3-(dimethylamino)propyl)-, 5,5-dioxide is C15H18N4O3S.
The molecular weight of 1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-2-(3-(dimethylamino)propyl)-, 5,5-dioxide is 334.10995 g/mol.
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