TL;DR: 7-O-Methylepinogarol (CAS 71628-96-1) is a chemical compound with molecular formula C28H31NO10 and molecular weight 541.1948 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
23-(dimethylamino)-4,8,12,22,24-pentahydroxy-10-methoxy-1,12-dimethyl-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2,4,7(16),8,14,18-hexaene-6,17-dione
Also Known As: Menogarol, MENOGARIL, Tomosar, 7-O-Methylepinogarol, Menogarilum [Latin]
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C28H31NO10 |
| Molecular Weight | 541.1948 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 166.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 2 |
| Exact Mass | 541.1948 Da |
| Heavy Atoms | 39 |
| Complexity | 1020.0 |
| SMILES | CC1(CC(C2=C(C3=C(C=C2C1)C(=O)C4=C5C(=CC(=C4C3=O)O)C6(C(C(C(C(O5)O6)O)N(C)C)O)C)O)OC)O |
| InChIKey | LWYJUZBXGAFFLP-UHFFFAOYSA-N |
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-O-Methylepinogarol. The TPSA of 166.0 Ų indicates high polarity, suggesting 7-O-Methylepinogarol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7-O-Methylepinogarol has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 7-O-Methylepinogarol is 71628-96-1.
The molecular formula of 7-O-Methylepinogarol is C28H31NO10.
The molecular weight of 7-O-Methylepinogarol is 541.1948 g/mol.
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