TL;DR: RefChem:269531 (CAS 112445-61-1) is a chemical compound with molecular formula C19H17N3O3S and molecular weight 367.09906 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(6-methoxy-1,3-benzothiazol-2-yl)-6-(4-methoxyphenyl)-4,5-dihydropyridazin-3-one
Also Known As: 3(2H)-Pyridazinone, 4,5-dihydro-2-(6-methoxy-2-benzothiazolyl)-6-(4-methoxyphenyl)-, 4,5-Dihydro-2-(6-methoxy-2-benzothiazolyl)-6-(4-methoxyphenyl)-3(2H)-pyridazinone, 2-(6-Methoxy-1,3-benzothiazol-2-yl)-6-(4-methoxyphenyl)-4,5-dihydropyridazin-3(2H)-one, 2-(6-methoxy-1,3-benzothiazol-2-yl)-6-(4-methoxyphenyl)-4,5-dihydropyridazin-3-one
| Molecular Formula | C19H17N3O3S |
| Molecular Weight | 367.09906 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 92.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 367.09906 Da |
| Heavy Atoms | 26 |
| Complexity | 550.0 |
| SMILES | COC1=CC=C(C=C1)C2=NN(C(=O)CC2)C3=NC4=C(S3)C=C(C=C4)OC |
| InChIKey | ZLASMORQCPOZQA-UHFFFAOYSA-N |
The XLogP value of 3.4 indicates that RefChem:269531 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:269531. Following Lipinski's Rule of Five, RefChem:269531 has 0 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 RefChem:269531 is 112445-61-1.
The molecular formula of RefChem:269531 is C19H17N3O3S.
The molecular weight of RefChem:269531 is 367.09906 g/mol.
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