![3-(2,3-dimethoxyphenyl)-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile structure](/static/products/102/1023569-79-0.png)
3-(2,3-dimethoxyphenyl)-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile
TL;DR: 3-(2,3-dimethoxyphenyl)-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile (CAS 1023569-79-0) is a chemical compound with molecular formula C19H18N4O4 and molecular weight 366.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,3-dimethoxyphenyl)-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile
Also Known As: 3-(2,3-dimethoxyphenyl)-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile, 5-(2,3-dimethoxyphenyl)-3-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile, 6-(2,3-dimethoxyphenyl)-2-imino-4,8-dimethyl-3,5-dioxabicyclo[2.2.2]octane-1,7,7-tricarbonitrile
| Molecular Formula | C19H18N4O4 |
|---|---|
| Molecular Weight | 366.13 g/mol |
| LogP | 2.67841 |
| Topological Polar Surface Area | 132.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 366.1328 |
| Heavy Atoms | 27 |
| Complexity | 926.4988 |
Chemical Identifiers
| CAS Number | 1023569-79-0 |
|---|---|
| SMILES | CC1C2(OC(C(C1(C#N)C#N)(C(=N)O2)C#N)C3=C(C(=CC=C3)OC)OC)C |
Product Overview
3-(2,3-dimethoxyphenyl)-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile (CAS 1023569-79-0), with molecular formula C19H18N4O4 and molecular weight 366.13 g/mol. IUPAC: 3-(2,3-dimethoxyphenyl)-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile.
Chemical Property Profile of 3-(2,3-dimethoxyphenyl)-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile
Property Insights of 3-(2,3-dimethoxyphenyl)-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile
The XLogP value of 2.67841 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2,3-dimethoxyphenyl)-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile. The TPSA of 132.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2,3-dimethoxyphenyl)-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile. Following Lipinski's Rule of Five, 3-(2,3-dimethoxyphenyl)-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile has 1 hydrogen bond donor(s) and 8 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-(2,3-dimethoxyphenyl)-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile?
The CAS number of 3-(2,3-dimethoxyphenyl)-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile is 1023569-79-0.
What is the molecular formula of 3-(2,3-dimethoxyphenyl)-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile?
The molecular formula of 3-(2,3-dimethoxyphenyl)-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile is C19H18N4O4.
What is the molecular weight of 3-(2,3-dimethoxyphenyl)-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile?
The molecular weight of 3-(2,3-dimethoxyphenyl)-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile is 366.13 g/mol.
Where can I buy 3-(2,3-dimethoxyphenyl)-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile?
You can request a quote for 3-(2,3-dimethoxyphenyl)-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-(2,3-dimethoxyphenyl)-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-(2,3-dimethoxyphenyl)-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.