![3-Ethyl-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile structure](/static/products/950/95059-14-6.png)
3-Ethyl-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile
TL;DR: 3-Ethyl-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile (CAS 95059-14-6) is a chemical compound with molecular formula C13H14N4O2 and molecular weight 258.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile
Also Known As: 3-ethyl-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile, 5-ethyl-3-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile, 6-ethyl-2-imino-4,8-dimethyl-3,5-dioxabicyclo[2.2.2]octane-1,7,7-tricarbonitrile
| Molecular Formula | C13H14N4O2 |
|---|---|
| Molecular Weight | 258.11 g/mol |
| LogP | 1.69851 |
| Topological Polar Surface Area | 113.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 258.11166 |
| Heavy Atoms | 19 |
| Complexity | 552.66296 |
Chemical Identifiers
| CAS Number | 95059-14-6 |
|---|---|
| SMILES | CCC1C2(C(=N)OC(O1)(C(C2(C#N)C#N)C)C)C#N |
Product Overview
3-Ethyl-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile (CAS 95059-14-6), with molecular formula C13H14N4O2 and molecular weight 258.11 g/mol. IUPAC: 3-ethyl-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile.
Chemical Property Profile of 3-Ethyl-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile
Property Insights of 3-Ethyl-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile
The XLogP value of 1.69851 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethyl-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile. The TPSA of 113.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Ethyl-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile. Following Lipinski's Rule of Five, 3-Ethyl-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile has 1 hydrogen bond donor(s) and 6 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 3-Ethyl-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile?
The CAS number of 3-Ethyl-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile is 95059-14-6.
What is the molecular formula of 3-Ethyl-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile?
The molecular formula of 3-Ethyl-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile is C13H14N4O2.
What is the molecular weight of 3-Ethyl-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile?
The molecular weight of 3-Ethyl-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile is 258.11 g/mol.
Where can I buy 3-Ethyl-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile?
You can request a quote for 3-Ethyl-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethyl-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.