TL;DR: 3-(phenylmethyl)-1h-indazole (CAS 152537-71-8) 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.
2-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxymethyl]butane-1-sulfonamide
Also Known As: 3-(phenylmethyl)-1h-indazole, 6-(2-Ethyl-2-methyl-3-sulfamoyl-1-propoxy)-7-methyl(1,2,4)triazolo(1,5-b)pyridazine, 1-Butanesulfonamide, 2-methyl-2-(((7-methyl(1,2,4)triazolo(1,5-b)pyridazin-6-yl)oxy)methyl)-, 2-Methyl-2-(((7-methyl(1,2,4)triazolo(1,5-b)pyridazin-6-yl)oxy)methyl)-1-butanesulfonamide, 2-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxymethyl]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 | 454.0 |
| SMILES | CCC(C)(COC1=NN2C(=NC=N2)C=C1C)CS(=O)(=O)N |
| InChIKey | IJFQVZAPJZHQTN-UHFFFAOYSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(phenylmethyl)-1h-indazole. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(phenylmethyl)-1h-indazole. Following Lipinski's Rule of Five, 3-(phenylmethyl)-1h-indazole 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 3-(phenylmethyl)-1h-indazole is 152537-71-8.
The molecular formula of 3-(phenylmethyl)-1h-indazole is C12H19N5O3S.
The molecular weight of 3-(phenylmethyl)-1h-indazole is 313.12085 g/mol.
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