![1,4,8,11-Tetraazabicyclo[6.6.2]hexadecane structure](/static/products/1307/130701-19-8.webp)
1,4,8,11-Tetraazabicyclo[6.6.2]hexadecane
TL;DR: 1,4,8,11-Tetraazabicyclo[6.6.2]hexadecane (CAS 130701-19-8) is a chemical compound with molecular formula C12H26N4 and molecular weight 226.21574 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,4,8,11-tetrazabicyclo[6.6.2]hexadecane
Also Known As: 1,4,8,11-Tetraazabicyclo[6.6.2]hexadecane, Cross-bridged Cyclam, 1,4,8,11-tetrazabicyclo[6.6.2]hexadecane, Ethyl 3-ethylaminobut-2-enoate, HY-W717830
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H26N4 |
| Molecular Weight | 226.21574 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 30.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 226.21574 Da |
| Heavy Atoms | 16 |
| Complexity | 166.0 |
| SMILES | C1CNCCN2CCCNCCN(C1)CC2 |
| InChIKey | OBBKVQRWBGOVCF-UHFFFAOYSA-N |
Chemical Property Profile of 1,4,8,11-Tetraazabicyclo[6.6.2]hexadecane
Property Insights of 1,4,8,11-Tetraazabicyclo[6.6.2]hexadecane
The XLogP value of -0.3 indicates that 1,4,8,11-Tetraazabicyclo[6.6.2]hexadecane is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 30.5 Ų, 1,4,8,11-Tetraazabicyclo[6.6.2]hexadecane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4,8,11-Tetraazabicyclo[6.6.2]hexadecane has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,4,8,11-Tetraazabicyclo[6.6.2]hexadecane?
The CAS number of 1,4,8,11-Tetraazabicyclo[6.6.2]hexadecane is 130701-19-8.
What is the molecular formula of 1,4,8,11-Tetraazabicyclo[6.6.2]hexadecane?
The molecular formula of 1,4,8,11-Tetraazabicyclo[6.6.2]hexadecane is C12H26N4.
What is the molecular weight of 1,4,8,11-Tetraazabicyclo[6.6.2]hexadecane?
The molecular weight of 1,4,8,11-Tetraazabicyclo[6.6.2]hexadecane is 226.21574 g/mol.
Where can I buy 1,4,8,11-Tetraazabicyclo[6.6.2]hexadecane?
You can request a quote for 1,4,8,11-Tetraazabicyclo[6.6.2]hexadecane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,4,8,11-Tetraazabicyclo[6.6.2]hexadecane?
Yes, CoreyChem provides custom synthesis services for 1,4,8,11-Tetraazabicyclo[6.6.2]hexadecane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.