HX99TLK8DF
4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-3,5-diethyl-1H-pyrazole;methanesulfonic acid
Also Known As: Win-41258-3|1H-Pyrazole, 4-(6-(2-chloro-4-methoxyphenoxy)hexyl)-3,5-diethyl-, monomethanesulfonate|4-(6-(2-Chloro-4-methoxyphenoxy)hexyl)-3,5-diethyl-1H-pyrazole methanesulfonate|4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-3,5-diethyl-1H-pyrazo|4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-3,5-diethyl-1H-pyrazole methanesulfonate|4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-3,5-diethyl-1H-pyrazole;methanesulfonic acid|1H-Pyrazole, 4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-3,5-diethyl-, methanesulfonate (1:1)|4-[6-(2-chloro-4-methoxy-phenoxy)hexyl]-3,5-diethyl-1H-pyrazole; methanesulfonic acid|4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-3,5-diethyl-1H-pyrazole; methanesulfonic acid|Methanesulfonic acid--4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-3,5-diethyl-1H-pyrazole (1/1)
| Molecular Formula | C21H33ClN2O5S |
|---|---|
| Molecular Weight | 460.17987 g/mol |
| LogP | 4.8824 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 460.17987 |
| Monoisotopic Mass | 460.17987 |
| Heavy Atoms | 30 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 69982-18-9 |
|---|---|
| SMILES | CCC1=C(C(=NN1)CC)CCCCCCOC2=C(C=C(C=C2)OC)Cl.CS(=O)(=O)O |
| InChIKey | XLPNGUGQMKKKDG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
HX99TLK8DF (CAS 69982-18-9), with molecular formula C21H33ClN2O5S and molecular weight 460.17987 g/mol. IUPAC: 4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-3,5-diethyl-1H-pyrazole;methanesulfonic acid.
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