TL;DR: Cambridge id 5259966 (CAS 156401-03-5) is a chemical compound with molecular formula C19H23NO4 and molecular weight 329.16272 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-methoxyphenol
Also Known As: Capnosinine, AB00077274-01, 5-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methyl)-2-methoxyphenol, 5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-methoxyphenol, 5-[(6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)methyl]-2-methoxyphenol
| Molecular Formula | C19H23NO4 |
| Molecular Weight | 329.16272 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 51.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 329.16272 Da |
| Heavy Atoms | 24 |
| Complexity | 394.0 |
| SMILES | COC1=C(C=C(C=C1)CN2CCC3=CC(=C(C=C3C2)OC)OC)O |
| InChIKey | PLFGRBPWZRSCHW-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cambridge id 5259966. With a topological polar surface area (TPSA) of 51.2 Ų, Cambridge id 5259966 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cambridge id 5259966 has 1 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 Cambridge id 5259966 is 156401-03-5.
The molecular formula of Cambridge id 5259966 is C19H23NO4.
The molecular weight of Cambridge id 5259966 is 329.16272 g/mol.
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