TL;DR: RefChem:315216 (CAS 66203-11-0) is a chemical compound with molecular formula C19H28N2O8S and molecular weight 444.15665 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[4,7-dimethoxy-6-(2-pyrrolidin-1-ylethoxy)-1-benzofuran-5-yl]acetamide;methanesulfonic acid
Also Known As: Acetamide, N-(4,7-dimethoxy-6-(2-(1-pyrrolidinyl)ethoxy)-5-benzofuranyl)-, methanesulfonate, N-(4,7-Dimethoxy-6-(2-pyrrolidinylethoxy)-5-benzofuranyl)acetamide methanesulfonate, N-[4,7-dimethoxy-6-(2-pyrrolidin-1-ylethoxy)-1-benzofuran-5-, Methanesulfonic acid--N-{4,7-dimethoxy-6-[2-(pyrrolidin-1-yl)ethoxy]-1-benzofuran-5-yl}acetamide (1/1), N-[4,7-dimethoxy-6-(2-pyrrolidin-1-ylethoxy)-1-benzofuran-5-yl]acetamide; methanesulfonic acid
| Molecular Formula | C19H28N2O8S |
| Molecular Weight | 444.15665 g/mol |
| XLogP | 2.39 |
| Topological Polar Surface Area (TPSA) | 136.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 444.15665 Da |
| Heavy Atoms | 30 |
| Complexity | 536.0 |
| SMILES | CC(=O)NC1=C(C2=C(C(=C1OCCN3CCCC3)OC)OC=C2)OC.CS(=O)(=O)O |
| InChIKey | JSCHKSPCSCECKJ-UHFFFAOYSA-N |
The XLogP value of 2.39 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:315216. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:315216. Following Lipinski's Rule of Five, RefChem:315216 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of RefChem:315216 is 66203-11-0.
The molecular formula of RefChem:315216 is C19H28N2O8S.
The molecular weight of RefChem:315216 is 444.15665 g/mol.
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