TL;DR: RefChem:256366 (CAS 39543-88-9) is a chemical compound with molecular formula C17H23NO5 and molecular weight 321.15762 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1-benzofuran-2-carboxylate
Also Known As: 2-Benzofurancarboxylic acid, 7-(2-hydroxy-3-(isopropylamino)propoxy)-, ethyl ester, 2-Carbethoxy-7-(2-hydroxy-3-isopropylaminopropoxy)benzofuran, 7-(2-Hydroxy-3-(isopropylamino)propoxy)-2-benzofurancarboxylic acid ethyl ester, 7-[2-Hydroxy-3- propoxy]-2-benzofurancarboxylicacidethylester, Ethyl 7-(2-hydroxy-3-(isopropylamino)propoxy)benzofuran-2-carboxylate
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C17H23NO5 |
| Molecular Weight | 321.15762 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 80.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 321.15762 Da |
| Heavy Atoms | 23 |
| Complexity | 376.0 |
| SMILES | CCOC(=O)C1=CC2=C(O1)C(=CC=C2)OCC(CNC(C)C)O |
| InChIKey | NUUBJYUSRWUKGF-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:256366. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:256366. Following Lipinski's Rule of Five, RefChem:256366 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of RefChem:256366 is 39543-88-9.
The molecular formula of RefChem:256366 is C17H23NO5.
The molecular weight of RefChem:256366 is 321.15762 g/mol.
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