TL;DR: (-)-Juvabione (CAS 17904-27-7) is a chemical compound with molecular formula C16H26O3 and molecular weight 266.1882 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-(6-methyl-4-oxoheptan-2-yl)cyclohexene-1-carboxylate
Also Known As: Epi juvabione, (-)-Juvabione, (+)-Juvabione, JUVABIONE, methyl 4-(6-methyl-4-oxoheptan-2-yl)cyclohexene-1-carboxylate
| Molecular Formula | C16H26O3 |
| Molecular Weight | 266.1882 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 266.1882 Da |
| Heavy Atoms | 19 |
| Complexity | 355.0 |
| SMILES | CC(C)CC(=O)CC(C)C1CCC(=CC1)C(=O)OC |
| InChIKey | IIWNDLDEVPJIBT-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that (-)-Juvabione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, (-)-Juvabione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (-)-Juvabione has 0 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 (-)-Juvabione is 17904-27-7.
The molecular formula of (-)-Juvabione is C16H26O3.
The molecular weight of (-)-Juvabione is 266.1882 g/mol.
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