![6-Imino-1,8-dimethyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile structure](/static/products/3299/329928-39-4.webp)
6-Imino-1,8-dimethyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile
TL;DR: 6-Imino-1,8-dimethyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile (CAS 329928-39-4) is a chemical compound with molecular formula C11H10N4O2 and molecular weight 230.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-imino-1,8-dimethyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile
Also Known As: 6-imino-1,8-dimethyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile, J3.456.484A, A3344/0142041, 4,5,5-Tricyano-tetrahydro-2,3-dimethyl-2,4-(epoxymethano)-2H-pyran-7-imine
| Molecular Formula | C11H10N4O2 |
|---|---|
| Molecular Weight | 230.08 g/mol |
| LogP | 0.91991 |
| Topological Polar Surface Area | 113.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 230.08037 |
| Heavy Atoms | 17 |
| Complexity | 509.06018 |
Chemical Identifiers
| CAS Number | 329928-39-4 |
|---|---|
| SMILES | CC1C2(OCC(C1(C(=N)O2)C#N)(C#N)C#N)C |
Product Overview
6-Imino-1,8-dimethyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile (CAS 329928-39-4), with molecular formula C11H10N4O2 and molecular weight 230.08 g/mol. IUPAC: 6-imino-1,8-dimethyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile.
Chemical Property Profile of 6-Imino-1,8-dimethyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile
Property Insights of 6-Imino-1,8-dimethyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile
The XLogP value of 0.91991 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Imino-1,8-dimethyl-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-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile. Following Lipinski's Rule of Five, 6-Imino-1,8-dimethyl-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-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile?
The CAS number of 6-Imino-1,8-dimethyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile is 329928-39-4.
What is the molecular formula of 6-Imino-1,8-dimethyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile?
The molecular formula of 6-Imino-1,8-dimethyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile is C11H10N4O2.
What is the molecular weight of 6-Imino-1,8-dimethyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile?
The molecular weight of 6-Imino-1,8-dimethyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile is 230.08 g/mol.
Where can I buy 6-Imino-1,8-dimethyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile?
You can request a quote for 6-Imino-1,8-dimethyl-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-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-Imino-1,8-dimethyl-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.