TL;DR: 4,5,9,10-Dehydro-isolongifolene (CAS 156747-45-4) is a chemical compound with molecular formula C15H20 and molecular weight 200.1565 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undeca-3,5,9-triene
Also Known As: Isolongifolene, 4,5,9,10-dehydro-, 4,5,9,10-dehydroisolongifolene, 4,5,9,10-dehydro-Isolongifolene, isolongifolene,4,5,9,10-dehydro, 2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undeca-3,5,9-triene
| Molecular Formula | C15H20 |
| Molecular Weight | 200.1565 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 200.1565 Da |
| Heavy Atoms | 15 |
| Complexity | 404.0 |
| SMILES | CC1(C=CC=C2C13CC(C2(C)C)C=C3)C |
| InChIKey | MOLSSUUBCUMURN-UHFFFAOYSA-N |
The XLogP value of 4.5 indicates that 4,5,9,10-Dehydro-isolongifolene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 4,5,9,10-Dehydro-isolongifolene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5,9,10-Dehydro-isolongifolene 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 4,5,9,10-Dehydro-isolongifolene is 156747-45-4.
The molecular formula of 4,5,9,10-Dehydro-isolongifolene is C15H20.
The molecular weight of 4,5,9,10-Dehydro-isolongifolene is 200.1565 g/mol.
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