3-Cyclohexyl-1,2,3,4,4a,5,6,10b-octahydrobenz(f)isoquinoline
TL;DR: 3-Cyclohexyl-1,2,3,4,4a,5,6,10b-octahydrobenz(f)isoquinoline (CAS 134794-54-0) is a chemical compound with molecular formula C19H27N and molecular weight 269.21436 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4aS,10bR)-3-cyclohexyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isoquinoline
Also Known As: Hexoh-benzisoquinoline, 3-Cyclohexyl-1,2,3,4,4a,5,6,10b-octahydrobenz(f)isoquinoline, (4aS,10bR)-3-cyclohexyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isoquinoline, Benz(f)isoquinoline, 3-cyclohexyl-1,2,3,4,4a,5,6,10b-octahydro-, trans-(+-)-, (4aS)-1,2,3,4,4aalpha,5,6,10bbeta-Octahydro-3-cyclohexylbenz[f]isoquinoline
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C19H27N |
| Molecular Weight | 269.21436 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 269.21436 Da |
| Heavy Atoms | 20 |
| Complexity | 320.0 |
| SMILES | C1CCC(CC1)N2CC[C@@H]3[C@@H](C2)CCC4=CC=CC=C34 |
| InChIKey | FUMLYVJDBXPSSP-VQIMIIECSA-N |
Chemical Property Profile of 3-Cyclohexyl-1,2,3,4,4a,5,6,10b-octahydrobenz(f)isoquinoline
Property Insights of 3-Cyclohexyl-1,2,3,4,4a,5,6,10b-octahydrobenz(f)isoquinoline
The XLogP value of 4.6 indicates that 3-Cyclohexyl-1,2,3,4,4a,5,6,10b-octahydrobenz(f)isoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, 3-Cyclohexyl-1,2,3,4,4a,5,6,10b-octahydrobenz(f)isoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Cyclohexyl-1,2,3,4,4a,5,6,10b-octahydrobenz(f)isoquinoline has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Cyclohexyl-1,2,3,4,4a,5,6,10b-octahydrobenz(f)isoquinoline?
The CAS number of 3-Cyclohexyl-1,2,3,4,4a,5,6,10b-octahydrobenz(f)isoquinoline is 134794-54-0.
What is the molecular formula of 3-Cyclohexyl-1,2,3,4,4a,5,6,10b-octahydrobenz(f)isoquinoline?
The molecular formula of 3-Cyclohexyl-1,2,3,4,4a,5,6,10b-octahydrobenz(f)isoquinoline is C19H27N.
What is the molecular weight of 3-Cyclohexyl-1,2,3,4,4a,5,6,10b-octahydrobenz(f)isoquinoline?
The molecular weight of 3-Cyclohexyl-1,2,3,4,4a,5,6,10b-octahydrobenz(f)isoquinoline is 269.21436 g/mol.
Where can I buy 3-Cyclohexyl-1,2,3,4,4a,5,6,10b-octahydrobenz(f)isoquinoline?
You can request a quote for 3-Cyclohexyl-1,2,3,4,4a,5,6,10b-octahydrobenz(f)isoquinoline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Cyclohexyl-1,2,3,4,4a,5,6,10b-octahydrobenz(f)isoquinoline?
Yes, CoreyChem provides custom synthesis services for 3-Cyclohexyl-1,2,3,4,4a,5,6,10b-octahydrobenz(f)isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.