TL;DR: 5,9-Methano-5H-benzocycloheptene, 6,7,8,9-tetrahydro- (CAS 15391-62-5) is a chemical compound with molecular formula C12H14 and molecular weight 158.10954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tricyclo[6.3.1.02,7]dodeca-2,4,6-triene
Also Known As: benzobicycloocta-6-diene, 5,9-Methano-5H-benzocycloheptene, 6,7,8,9-tetrahydro-, 5,9-Methano-5H-benzocycloheptene,6,7,8,9-tetrahydro-, 6,7,8,9-tetrahydro-5H-5,9-methanobenzo[7]annulene
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C12H14 |
| Molecular Weight | 158.10954 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 158.10954 Da |
| Heavy Atoms | 12 |
| Complexity | 155.0 |
| SMILES | C1CC2CC(C1)C3=CC=CC=C23 |
| InChIKey | ZFJANHNOMPZUJM-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that 5,9-Methano-5H-benzocycloheptene, 6,7,8,9-tetrahydro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 5,9-Methano-5H-benzocycloheptene, 6,7,8,9-tetrahydro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,9-Methano-5H-benzocycloheptene, 6,7,8,9-tetrahydro- 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 5,9-Methano-5H-benzocycloheptene, 6,7,8,9-tetrahydro- is 15391-62-5.
The molecular formula of 5,9-Methano-5H-benzocycloheptene, 6,7,8,9-tetrahydro- is C12H14.
The molecular weight of 5,9-Methano-5H-benzocycloheptene, 6,7,8,9-tetrahydro- is 158.10954 g/mol.
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