TL;DR: alpha-Bulnesene (CAS 3691-11-0) is a chemical compound with molecular formula C15H24 and molecular weight 204.1878 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,3aS,5R)-3,8-dimethyl-5-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroazulene
Also Known As: delta-Guaiene, alpha-Bulnesene, A-Bulnesene, alfa-Bulnesene, .delta.-Guaiene
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C15H24 |
| Molecular Weight | 204.1878 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.1878 Da |
| Heavy Atoms | 15 |
| Complexity | 295.0 |
| SMILES | C[C@H]1CCC2=C(CC[C@H](C[C@@H]12)C(=C)C)C |
| InChIKey | YHAJBLWYOIUHHM-GUTXKFCHSA-N |
The XLogP value of 4.6 indicates that alpha-Bulnesene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, alpha-Bulnesene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Bulnesene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of alpha-Bulnesene is 3691-11-0.
The molecular formula of alpha-Bulnesene is C15H24.
The molecular weight of alpha-Bulnesene is 204.1878 g/mol.
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