![(1S,4R)-2-benzyl-2,5-diazabicyclo[2.2.1]heptane structure](/static/products/121/1217977-97-3.webp)
(1S,4R)-2-benzyl-2,5-diazabicyclo[2.2.1]heptane
TL;DR: (1S,4R)-2-benzyl-2,5-diazabicyclo[2.2.1]heptane (CAS 1217977-97-3) is a chemical compound with molecular formula C12H16N2 and molecular weight 188.13135 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,4R)-2-benzyl-2,5-diazabicyclo[2.2.1]heptane
Also Known As: 2-Benzyl-2,5-diaza-bicyclo[2,2,1]heptane, (1S,4S)-2-Benzyl-2,5-Diazabicyclo[2.2.1]heptane
Technical Specifications
| Molecular Formula | C12H16N2 |
| Molecular Weight | 188.13135 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 15.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.13135 Da |
| Heavy Atoms | 14 |
| Complexity | 198.0 |
| SMILES | C1[C@H]2CN[C@H]1CN2CC3=CC=CC=C3 |
| InChIKey | JPRFUVVWNBBEDI-NEPJUHHUSA-N |
Chemical Property Profile of (1S,4R)-2-benzyl-2,5-diazabicyclo[2.2.1]heptane
Property Insights of (1S,4R)-2-benzyl-2,5-diazabicyclo[2.2.1]heptane
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1S,4R)-2-benzyl-2,5-diazabicyclo[2.2.1]heptane. With a topological polar surface area (TPSA) of 15.3 Ų, (1S,4R)-2-benzyl-2,5-diazabicyclo[2.2.1]heptane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1S,4R)-2-benzyl-2,5-diazabicyclo[2.2.1]heptane has 1 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 (1S,4R)-2-benzyl-2,5-diazabicyclo[2.2.1]heptane?
The CAS number of (1S,4R)-2-benzyl-2,5-diazabicyclo[2.2.1]heptane is 1217977-97-3.
What is the molecular formula of (1S,4R)-2-benzyl-2,5-diazabicyclo[2.2.1]heptane?
The molecular formula of (1S,4R)-2-benzyl-2,5-diazabicyclo[2.2.1]heptane is C12H16N2.
What is the molecular weight of (1S,4R)-2-benzyl-2,5-diazabicyclo[2.2.1]heptane?
The molecular weight of (1S,4R)-2-benzyl-2,5-diazabicyclo[2.2.1]heptane is 188.13135 g/mol.
Where can I buy (1S,4R)-2-benzyl-2,5-diazabicyclo[2.2.1]heptane?
You can request a quote for (1S,4R)-2-benzyl-2,5-diazabicyclo[2.2.1]heptane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (1S,4R)-2-benzyl-2,5-diazabicyclo[2.2.1]heptane?
Yes, CoreyChem provides custom synthesis services for (1S,4R)-2-benzyl-2,5-diazabicyclo[2.2.1]heptane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.