![1,13,16-triazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-2(7),3,5,8,10,12(17),13,15-octaene-11,14,15-tricarbonitrile structure](/static/products/2682/268205-27-2.webp)
1,13,16-triazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-2(7),3,5,8,10,12(17),13,15-octaene-11,14,15-tricarbonitrile
TL;DR: 1,13,16-triazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-2(7),3,5,8,10,12(17),13,15-octaene-11,14,15-tricarbonitrile (CAS 268205-27-2) is a chemical compound with molecular formula C17H6N6 and molecular weight 294.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,13,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,10,12,14,16-octaene-11,14,15-tricarbonitrile
Also Known As: 1,13,16-triazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-2(7),3,5,8,10,12(17),13,15-octaene-11,14,15-tricarbonitrile, 1,13,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,10,12,14,16-octaene-11,14,15-tricarbonitrile
| Molecular Formula | C17H6N6 |
|---|---|
| Molecular Weight | 294.07 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 294.0654 |
| Heavy Atoms | 23 |
| Complexity | 631.0 |
Chemical Identifiers
| CAS Number | 268205-27-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC3=C(C4=NC(=C(N=C4N32)C#N)C#N)C#N |
| InChIKey | JQZMZOKSVQRFJL-UHFFFAOYSA-N |
Product Overview
1,13,16-triazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-2(7),3,5,8,10,12(17),13,15-octaene-11,14,15-tricarbonitrile (CAS 268205-27-2), with molecular formula C17H6N6 and molecular weight 294.07 g/mol. IUPAC: 1,13,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,10,12,14,16-octaene-11,14,15-tricarbonitrile.
Chemical Property Profile of 1,13,16-triazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-2(7),3,5,8,10,12(17),13,15-octaene-11,14,15-tricarbonitrile
Property Insights of 1,13,16-triazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-2(7),3,5,8,10,12(17),13,15-octaene-11,14,15-tricarbonitrile
The XLogP value of 3.3 indicates that 1,13,16-triazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-2(7),3,5,8,10,12(17),13,15-octaene-11,14,15-tricarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,13,16-triazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-2(7),3,5,8,10,12(17),13,15-octaene-11,14,15-tricarbonitrile. Following Lipinski's Rule of Five, 1,13,16-triazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-2(7),3,5,8,10,12(17),13,15-octaene-11,14,15-tricarbonitrile has 0 hydrogen bond donor(s) and 5 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 1,13,16-triazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-2(7),3,5,8,10,12(17),13,15-octaene-11,14,15-tricarbonitrile?
The CAS number of 1,13,16-triazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-2(7),3,5,8,10,12(17),13,15-octaene-11,14,15-tricarbonitrile is 268205-27-2.
What is the molecular formula of 1,13,16-triazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-2(7),3,5,8,10,12(17),13,15-octaene-11,14,15-tricarbonitrile?
The molecular formula of 1,13,16-triazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-2(7),3,5,8,10,12(17),13,15-octaene-11,14,15-tricarbonitrile is C17H6N6.
What is the molecular weight of 1,13,16-triazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-2(7),3,5,8,10,12(17),13,15-octaene-11,14,15-tricarbonitrile?
The molecular weight of 1,13,16-triazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-2(7),3,5,8,10,12(17),13,15-octaene-11,14,15-tricarbonitrile is 294.07 g/mol.
Where can I buy 1,13,16-triazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-2(7),3,5,8,10,12(17),13,15-octaene-11,14,15-tricarbonitrile?
You can request a quote for 1,13,16-triazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-2(7),3,5,8,10,12(17),13,15-octaene-11,14,15-tricarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,13,16-triazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-2(7),3,5,8,10,12(17),13,15-octaene-11,14,15-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1,13,16-triazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-2(7),3,5,8,10,12(17),13,15-octaene-11,14,15-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.