![3-(3-Phenylallyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane structure](/static/products/6397/63977-91-3.webp)
3-(3-Phenylallyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane
TL;DR: 3-(3-Phenylallyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane (CAS 63977-91-3) is a chemical compound with molecular formula C16H22N2 and molecular weight 242.1783 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-methyl-3-(3-phenylprop-2-enyl)-3,8-diazabicyclo[3.2.1]octane
Also Known As: 3-cinnamyl-8-methyl-3,8-diazabicyclo[3.2.1]octane, 3-(3-Phenylallyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane
Technical Specifications
| Molecular Formula | C16H22N2 |
| Molecular Weight | 242.1783 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 6.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.1783 Da |
| Heavy Atoms | 18 |
| Complexity | 279.0 |
| SMILES | CN1C2CCC1CN(C2)CC=CC3=CC=CC=C3 |
| InChIKey | HTWRBOWJUNHVMN-UHFFFAOYSA-N |
Chemical Property Profile of 3-(3-Phenylallyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane
Property Insights of 3-(3-Phenylallyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Phenylallyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane. With a topological polar surface area (TPSA) of 6.5 Ų, 3-(3-Phenylallyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Phenylallyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane has 0 hydrogen bond donor(s) and 2 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-(3-Phenylallyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane?
The CAS number of 3-(3-Phenylallyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane is 63977-91-3.
What is the molecular formula of 3-(3-Phenylallyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane?
The molecular formula of 3-(3-Phenylallyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane is C16H22N2.
What is the molecular weight of 3-(3-Phenylallyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane?
The molecular weight of 3-(3-Phenylallyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane is 242.1783 g/mol.
Where can I buy 3-(3-Phenylallyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane?
You can request a quote for 3-(3-Phenylallyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(3-Phenylallyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane?
Yes, CoreyChem provides custom synthesis services for 3-(3-Phenylallyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.