TL;DR: Naematolin (CAS 11054-16-3) is a chemical compound with molecular formula C17H24O5 and molecular weight 308.16238 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(1S,4R,5Z,7R,8S,9S)-7,8-dihydroxy-6,10,10-trimethyl-2-methylidene-3-oxo-4-bicyclo[7.2.0]undec-5-enyl] acetate
Also Known As: Naematolin, Nematolin, Tsushimycin, [(1S,4R,5Z,7R,8S,9S)-7,8-dihydroxy-6,10,10-trimethyl-2-methylidene-3-oxo-4-bicyclo[7.2.0]undec-5-enyl] acetate
| Molecular Formula | C17H24O5 |
| Molecular Weight | 308.16238 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 308.16238 Da |
| Heavy Atoms | 22 |
| Complexity | 545.0 |
| SMILES | C/C/1=C/[C@H](C(=O)C(=C)[C@H]2CC([C@H]2[C@@H]([C@@H]1O)O)(C)C)OC(=O)C |
| InChIKey | GCJYDDQHDPNDBI-CNKLGXOISA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Naematolin. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Naematolin. Following Lipinski's Rule of Five, Naematolin has 2 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 Naematolin is 11054-16-3.
The molecular formula of Naematolin is C17H24O5.
The molecular weight of Naematolin is 308.16238 g/mol.
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