![3-((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile structure](/static/products/100/1005271-91-9.png)
3-((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile
TL;DR: 3-((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile (CAS 1005271-91-9) is a chemical compound with molecular formula C20H22N4O2 and molecular weight 350.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile
Also Known As: 3-((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile, 3-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile, 5-(6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)-3-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile
| Molecular Formula | C20H22N4O2 |
|---|---|
| Molecular Weight | 350.17 g/mol |
| LogP | 3.28091 |
| Topological Polar Surface Area | 113.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 350.1743 |
| Heavy Atoms | 26 |
| Complexity | 855.71277 |
Chemical Identifiers
| CAS Number | 1005271-91-9 |
|---|---|
| SMILES | CC1C2(OC(C(C1(C#N)C#N)(C(=N)O2)C#N)C3=CCC4CC3C4(C)C)C |
Product Overview
3-((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile (CAS 1005271-91-9), with molecular formula C20H22N4O2 and molecular weight 350.17 g/mol. IUPAC: 3-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile.
Chemical Property Profile of 3-((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile
Property Insights of 3-((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile
The XLogP value of 3.28091 indicates that 3-((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile. Following Lipinski's Rule of Five, 3-((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)-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-((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile?
The CAS number of 3-((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile is 1005271-91-9.
What is the molecular formula of 3-((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile?
The molecular formula of 3-((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile is C20H22N4O2.
What is the molecular weight of 3-((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile?
The molecular weight of 3-((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile is 350.17 g/mol.
Where can I buy 3-((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile?
You can request a quote for 3-((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)-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-((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)-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-((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)-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.