TL;DR: 6-(5,6-Dimethoxybenzo(b)thien-2-yl)-4,5-dihydro-5-methyl-3(2H)-pyridazinone (CAS 129426-19-3) is a chemical compound with molecular formula C15H16N2O3S and molecular weight 304.08817 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(5,6-dimethoxy-1-benzothiophen-2-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
Also Known As: Org 9935, N-(1,1-dihydroxyhexadecyl)hexadecanamide, 6-(5,6-Dimethoxybenzo(b)thien-2-yl)-4,5-dihydro-5-methyl-3(2H)-pyridazinone, 1-[(2-Chlorophenyl)methyl]-2,4-dimethylbenzene, 3-(5,6-dimethoxy-1-benzothiophen-2-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C15H16N2O3S |
| Molecular Weight | 304.08817 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 88.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 304.08817 Da |
| Heavy Atoms | 21 |
| Complexity | 443.0 |
| SMILES | CC1CC(=O)NN=C1C2=CC3=CC(=C(C=C3S2)OC)OC |
| InChIKey | KIYDKXDCNSPKQQ-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(5,6-Dimethoxybenzo(b)thien-2-yl)-4,5-dihydro-5-methyl-3(2H)-pyridazinone. The TPSA of 88.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(5,6-Dimethoxybenzo(b)thien-2-yl)-4,5-dihydro-5-methyl-3(2H)-pyridazinone. Following Lipinski's Rule of Five, 6-(5,6-Dimethoxybenzo(b)thien-2-yl)-4,5-dihydro-5-methyl-3(2H)-pyridazinone has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 6-(5,6-Dimethoxybenzo(b)thien-2-yl)-4,5-dihydro-5-methyl-3(2H)-pyridazinone is 129426-19-3.
The molecular formula of 6-(5,6-Dimethoxybenzo(b)thien-2-yl)-4,5-dihydro-5-methyl-3(2H)-pyridazinone is C15H16N2O3S.
The molecular weight of 6-(5,6-Dimethoxybenzo(b)thien-2-yl)-4,5-dihydro-5-methyl-3(2H)-pyridazinone is 304.08817 g/mol.
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