TL;DR: Phosphorothioic acid, O-(6-(cyclohexyloxy)-3-pyridazinyl) O,O-diethyl ester (CAS 53605-03-1) is a chemical compound with molecular formula C14H23N2O4PS and molecular weight 346.1116 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6-cyclohexyloxypyridazin-3-yl)oxy-diethoxy-sulfanylidene-λ5-phosphane
Also Known As: Phosphorothioic acid, O-(6-(cyclohexyloxy)-3-pyridazinyl) O,O-diethyl ester, O-(6-(Cyclohexyloxy)-3-pyridazinyl) O,O-diethyl phosphorothioate, (6-cyclohexyloxypyridazin-3-yl)oxy-diethoxy-sulfanylidene-, O-[6-(Cyclohexyloxy)pyridazin-3-yl] O,O-diethyl phosphorothioate, BRN 0830356
| Molecular Formula | C14H23N2O4PS |
| Molecular Weight | 346.1116 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 94.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 346.1116 Da |
| Heavy Atoms | 22 |
| Complexity | 359.0 |
| SMILES | CCOP(=S)(OCC)OC1=NN=C(C=C1)OC2CCCCC2 |
| InChIKey | ACWIDQDCBHCYCU-UHFFFAOYSA-N |
The XLogP value of 4.2 indicates that Phosphorothioic acid, O-(6-(cyclohexyloxy)-3-pyridazinyl) O,O-diethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, O-(6-(cyclohexyloxy)-3-pyridazinyl) O,O-diethyl ester. Following Lipinski's Rule of Five, Phosphorothioic acid, O-(6-(cyclohexyloxy)-3-pyridazinyl) O,O-diethyl ester has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Phosphorothioic acid, O-(6-(cyclohexyloxy)-3-pyridazinyl) O,O-diethyl ester is 53605-03-1.
The molecular formula of Phosphorothioic acid, O-(6-(cyclohexyloxy)-3-pyridazinyl) O,O-diethyl ester is C14H23N2O4PS.
The molecular weight of Phosphorothioic acid, O-(6-(cyclohexyloxy)-3-pyridazinyl) O,O-diethyl ester is 346.1116 g/mol.
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