TL;DR: RefChem:228771 (CAS 152537-60-5) is a chemical compound with molecular formula C12H19N5O3S and molecular weight 313.12085 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,3-dimethyl-4-[(7-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxy]butane-1-sulfonamide
Also Known As: 6-(2,2-Dimethyl-4-sulfamoyl-1-butoxy)-7-methyl(1,2,4)triazolo(1,5-b)pyridazine, 1-Butanesulfonamide, 3,3-dimethyl-4-((7-methyl(1,2,4)triazolo(1,5-b)pyridazin-6-yl)oxy)-, 3,3-Dimethyl-4-((7-methyl(1,2,4)triazolo(1,5-b)pyridazin-6-yl)oxy)-1-butanesulfonamide, 3,3-dimethyl-4-[(7-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxy]butane-1-sulfonamide, 3,3-Dimethyl-4-[(7-methyl[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxy]butane-1-sulfonamide
| Molecular Formula | C12H19N5O3S |
| Molecular Weight | 313.12085 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 121.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 313.12085 Da |
| Heavy Atoms | 21 |
| Complexity | 450.0 |
| SMILES | CC1=CC2=NC=NN2N=C1OCC(C)(C)CCS(=O)(=O)N |
| InChIKey | LNALLUHBMZUXHQ-UHFFFAOYSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:228771. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:228771. Following Lipinski's Rule of Five, RefChem:228771 has 1 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 RefChem:228771 is 152537-60-5.
The molecular formula of RefChem:228771 is C12H19N5O3S.
The molecular weight of RefChem:228771 is 313.12085 g/mol.
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