![5-(15,3,5,7-Tetraazatricyclo[3.3.1.1~3,7~]dec-1-yl)pentanenitrile structure](/static/products/2989/29897-53-8.webp)
5-(15,3,5,7-Tetraazatricyclo[3.3.1.1~3,7~]dec-1-yl)pentanenitrile
TL;DR: 5-(15,3,5,7-Tetraazatricyclo[3.3.1.1~3,7~]dec-1-yl)pentanenitrile (CAS 29897-53-8) is a chemical compound with molecular formula C11H20N5+ and molecular weight 222.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decan-1-yl)pentanenitrile
Also Known As: NCIStruc1_001391, NCIStruc2_001717, NCI60_000704, 5-(15,3,5,7-tetraazatricyclo[3.3.1.1~3,7~]dec-1-yl)pentanenitrile
| Molecular Formula | C11H20N5+ |
|---|---|
| Molecular Weight | 222.17 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 33.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.17188 |
| Heavy Atoms | 16 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 29897-53-8 |
|---|---|
| SMILES | C1N2CN3CN1C[N+](C2)(C3)CCCCC#N |
| InChIKey | BUOOIFLPVYSVSU-UHFFFAOYSA-N |
Product Overview
5-(15,3,5,7-Tetraazatricyclo[3.3.1.1~3,7~]dec-1-yl)pentanenitrile (CAS 29897-53-8), with molecular formula C11H20N5+ and molecular weight 222.17 g/mol. IUPAC: 5-(3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decan-1-yl)pentanenitrile.
Chemical Property Profile of 5-(15,3,5,7-Tetraazatricyclo[3.3.1.1~3,7~]dec-1-yl)pentanenitrile
Property Insights of 5-(15,3,5,7-Tetraazatricyclo[3.3.1.1~3,7~]dec-1-yl)pentanenitrile
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(15,3,5,7-Tetraazatricyclo[3.3.1.1~3,7~]dec-1-yl)pentanenitrile. With a topological polar surface area (TPSA) of 33.5 Ų, 5-(15,3,5,7-Tetraazatricyclo[3.3.1.1~3,7~]dec-1-yl)pentanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(15,3,5,7-Tetraazatricyclo[3.3.1.1~3,7~]dec-1-yl)pentanenitrile has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(15,3,5,7-Tetraazatricyclo[3.3.1.1~3,7~]dec-1-yl)pentanenitrile?
The CAS number of 5-(15,3,5,7-Tetraazatricyclo[3.3.1.1~3,7~]dec-1-yl)pentanenitrile is 29897-53-8.
What is the molecular formula of 5-(15,3,5,7-Tetraazatricyclo[3.3.1.1~3,7~]dec-1-yl)pentanenitrile?
The molecular formula of 5-(15,3,5,7-Tetraazatricyclo[3.3.1.1~3,7~]dec-1-yl)pentanenitrile is C11H20N5+.
What is the molecular weight of 5-(15,3,5,7-Tetraazatricyclo[3.3.1.1~3,7~]dec-1-yl)pentanenitrile?
The molecular weight of 5-(15,3,5,7-Tetraazatricyclo[3.3.1.1~3,7~]dec-1-yl)pentanenitrile is 222.17 g/mol.
Where can I buy 5-(15,3,5,7-Tetraazatricyclo[3.3.1.1~3,7~]dec-1-yl)pentanenitrile?
You can request a quote for 5-(15,3,5,7-Tetraazatricyclo[3.3.1.1~3,7~]dec-1-yl)pentanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(15,3,5,7-Tetraazatricyclo[3.3.1.1~3,7~]dec-1-yl)pentanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-(15,3,5,7-Tetraazatricyclo[3.3.1.1~3,7~]dec-1-yl)pentanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.