![6-imino-1,8-dimethyl-3-(4-methylphenyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile structure](/static/products/102/1022566-16-0.png)
6-imino-1,8-dimethyl-3-(4-methylphenyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile
TL;DR: 6-imino-1,8-dimethyl-3-(4-methylphenyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile (CAS 1022566-16-0) is a chemical compound with molecular formula C18H16N4O2 and molecular weight 320.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-imino-1,8-dimethyl-3-(4-methylphenyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile
Also Known As: 6-imino-1,8-dimethyl-3-(4-methylphenyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile, 6-imino-1,8-dimethyl-3-(p-tolyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile, (1S,3R,5R,8R)-6-imino-1,8-dimethyl-3-(4-methylphenyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile, 7-imino-5,8-dimethyl-3-(4-methylphenyl)-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile
| Molecular Formula | C18H16N4O2 |
|---|---|
| Molecular Weight | 320.13 g/mol |
| LogP | 2.96963 |
| Topological Polar Surface Area | 113.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 320.12732 |
| Heavy Atoms | 24 |
| Complexity | 827.74536 |
Chemical Identifiers
| CAS Number | 1022566-16-0 |
|---|---|
| SMILES | CC1C2(OC(C(C1(C(=N)O2)C#N)(C#N)C#N)C3=CC=C(C=C3)C)C |
Product Overview
6-imino-1,8-dimethyl-3-(4-methylphenyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile (CAS 1022566-16-0), with molecular formula C18H16N4O2 and molecular weight 320.13 g/mol. IUPAC: 6-imino-1,8-dimethyl-3-(4-methylphenyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile.
Chemical Property Profile of 6-imino-1,8-dimethyl-3-(4-methylphenyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile
Property Insights of 6-imino-1,8-dimethyl-3-(4-methylphenyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile
The XLogP value of 2.96963 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-imino-1,8-dimethyl-3-(4-methylphenyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile. The TPSA of 113.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-imino-1,8-dimethyl-3-(4-methylphenyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile. Following Lipinski's Rule of Five, 6-imino-1,8-dimethyl-3-(4-methylphenyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-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 6-imino-1,8-dimethyl-3-(4-methylphenyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile?
The CAS number of 6-imino-1,8-dimethyl-3-(4-methylphenyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile is 1022566-16-0.
What is the molecular formula of 6-imino-1,8-dimethyl-3-(4-methylphenyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile?
The molecular formula of 6-imino-1,8-dimethyl-3-(4-methylphenyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile is C18H16N4O2.
What is the molecular weight of 6-imino-1,8-dimethyl-3-(4-methylphenyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile?
The molecular weight of 6-imino-1,8-dimethyl-3-(4-methylphenyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile is 320.13 g/mol.
Where can I buy 6-imino-1,8-dimethyl-3-(4-methylphenyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile?
You can request a quote for 6-imino-1,8-dimethyl-3-(4-methylphenyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-imino-1,8-dimethyl-3-(4-methylphenyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-imino-1,8-dimethyl-3-(4-methylphenyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.