TL;DR: Justiciresinol (CAS 136051-41-7) is a chemical compound with molecular formula C21H26O7 and molecular weight 390.16785 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[[(3R,4R,5S)-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl]-2,6-dimethoxyphenol
Also Known As: Justiciresinol, Jusglaucinol, (+)-Justiciresinol, J2.540.194H, 2-(4-Hydroxy-3-methoxyphenyl)-4-((4-hydroxy-3,5-dimethoxyphenyl)methyl)-tetrahydrofuran-3-methanol
| Molecular Formula | C21H26O7 |
| Molecular Weight | 390.16785 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 97.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 390.16785 Da |
| Heavy Atoms | 28 |
| Complexity | 462.0 |
| SMILES | COC1=CC(=CC(=C1O)OC)C[C@H]2CO[C@@H]([C@H]2CO)C3=CC(=C(C=C3)O)OC |
| InChIKey | LNRXVGSOOWBFAI-VFCRVFHLSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Justiciresinol. The TPSA of 97.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Justiciresinol. Following Lipinski's Rule of Five, Justiciresinol has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Justiciresinol is 136051-41-7.
The molecular formula of Justiciresinol is C21H26O7.
The molecular weight of Justiciresinol is 390.16785 g/mol.
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