TL;DR: RefChem:301191 (CAS 40681-02-5) is a chemical compound with molecular formula C25H31NO7 and molecular weight 457.21005 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[3-[4,7-dimethoxy-6-(2-morpholin-4-ylethoxy)-1-benzofuran-5-yl]-3-hydroxypropyl]phenol
Also Known As: Phenol,2-(aminomethyl)-5-methyl, 5-Benzofuranmethanol, 4,7-dimethoxy-alpha-(2-(3-hydroxyphenyl)ethyl)-6- (2-(4-morpholinyl)ethoxy)-, 3-(3-{4,7-Dimethoxy-6-[2-(morpholin-4-yl)ethoxy]-1-benzofuran-5-yl}-3-hydroxypropyl)phenol, 3-[3-[4,7-dimethoxy-6-(2-morpholin-4-ylethoxy)-1-benzofuran-5-yl]-3-hydroxypropyl]phenol, 5-Benzofuranmethanol, 4,7-dimethoxy-alpha-(2-(3-hydroxyphenyl)ethyl)-6-(2-(4-morpholinyl)ethoxy)-
| Molecular Formula | C25H31NO7 |
| Molecular Weight | 457.21005 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 93.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 457.21005 Da |
| Heavy Atoms | 33 |
| Complexity | 575.0 |
| SMILES | COC1=C(C(=C(C2=C1C=CO2)OC)OCCN3CCOCC3)C(CCC4=CC(=CC=C4)O)O |
| InChIKey | DLRLDOVAWROZNJ-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that RefChem:301191 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:301191. Following Lipinski's Rule of Five, RefChem:301191 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of RefChem:301191 is 40681-02-5.
The molecular formula of RefChem:301191 is C25H31NO7.
The molecular weight of RefChem:301191 is 457.21005 g/mol.
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