TL;DR: Agroskerin (CAS 114076-69-6) is a chemical compound with molecular formula C20H30O3 and molecular weight 318.21948 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,2Z,5S,6Z,9Z,14R)-5,11-dihydroxy-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-2,6,9-trien-4-one
Also Known As: Agroskerin, (1R,5Z,8Z,10S,12Z,14R)-4,10-dihydroxy-4,8,12,15,15-pentamethylbicyclo[12.1.0]pentadeca-5,8,12-trien-11-one
| Molecular Formula | C20H30O3 |
| Molecular Weight | 318.21948 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 318.21948 Da |
| Heavy Atoms | 23 |
| Complexity | 567.0 |
| SMILES | C/C/1=C/[C@@H](C(=O)/C(=C\[C@@H]2[C@H](C2(C)C)CCC(/C=C\C1)(C)O)/C)O |
| InChIKey | DGENOXRJSTZHMV-XBLVRJISSA-N |
The XLogP value of 3.2 indicates that Agroskerin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, Agroskerin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Agroskerin has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Agroskerin is 114076-69-6.
The molecular formula of Agroskerin is C20H30O3.
The molecular weight of Agroskerin is 318.21948 g/mol.
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