TL;DR: [1-(2,6-dimethylpiperidin-1-yl)-1-oxopropan-2-yl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate (CAS 1005146-22-4) is a chemical compound with molecular formula C21H27NO5 and molecular weight 373.18893 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[1-(2,6-dimethylpiperidin-1-yl)-1-oxopropan-2-yl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
Also Known As: [1-(2,6-dimethylpiperidin-1-yl)-1-oxopropan-2-yl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate|1-(2,6-dimethylpiperidin-1-yl)-1-oxopropan-2-yl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate|MLS002248526|CHEMBL1698093|SMR001315991|Z15406225
| Molecular Formula | C21H27NO5 |
| Molecular Weight | 373.18893 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 69.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 373.18893 Da |
| Heavy Atoms | 27 |
| Complexity | 543.0 |
| SMILES | CC1CCCC(N1C(=O)C(C)OC(=O)C2=C(C3=C(O2)C=CC(=C3)OC)C)C |
| InChIKey | KGMRGTIYOBTQRE-UHFFFAOYSA-N |
The XLogP value of 4.5 indicates that [1-(2,6-dimethylpiperidin-1-yl)-1-oxopropan-2-yl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [1-(2,6-dimethylpiperidin-1-yl)-1-oxopropan-2-yl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate. Following Lipinski's Rule of Five, [1-(2,6-dimethylpiperidin-1-yl)-1-oxopropan-2-yl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of [1-(2,6-dimethylpiperidin-1-yl)-1-oxopropan-2-yl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate is 1005146-22-4.
The molecular formula of [1-(2,6-dimethylpiperidin-1-yl)-1-oxopropan-2-yl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate is C21H27NO5.
The molecular weight of [1-(2,6-dimethylpiperidin-1-yl)-1-oxopropan-2-yl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate is 373.18893 g/mol.
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