TL;DR: RefChem:232894 (CAS 152537-61-6) is a chemical compound with molecular formula C13H21N5O3S and molecular weight 327.1365 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,4-dimethyl-5-[(7-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxy]pentane-1-sulfonamide
Also Known As: N-BOC-Azetidin-3-ylethanol, 6-(2,2-Dimethyl-5-sulfamoyl-1-pentyloxy)-7-methyl(1,2,4)triazolo(1,5-b)pyridazine, 1-Pentanesulfonamide, 4,4-dimethyl-5-((7-methyl(1,2,4)triazolo(1,5-b)pyridazin-6-yl)oxy)-, 4,4-Dimethyl-5-((7-methyl(1,2,4)triazolo(1,5-b)pyridazin-6-yl)oxy)-1-pentanesulfonamide, 4,4-dimethyl-5-[(7-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxy]pentane-1-sulfonamide
| Molecular Formula | C13H21N5O3S |
| Molecular Weight | 327.1365 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 121.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 327.1365 Da |
| Heavy Atoms | 22 |
| Complexity | 465.0 |
| SMILES | CC1=CC2=NC=NN2N=C1OCC(C)(C)CCCS(=O)(=O)N |
| InChIKey | QNVUIUSVAKHBGU-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:232894. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:232894. Following Lipinski's Rule of Five, RefChem:232894 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:232894 is 152537-61-6.
The molecular formula of RefChem:232894 is C13H21N5O3S.
The molecular weight of RefChem:232894 is 327.1365 g/mol.
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