![2-imino-4-methyl-6-propan-2-yl-8-propyl-3,5-dioxabicyclo[2.2.2]octane-1,7,7-tricarbonitrile structure](/static/products/102/1024210-19-2.png)
2-imino-4-methyl-6-propan-2-yl-8-propyl-3,5-dioxabicyclo[2.2.2]octane-1,7,7-tricarbonitrile
TL;DR: 2-imino-4-methyl-6-propan-2-yl-8-propyl-3,5-dioxabicyclo[2.2.2]octane-1,7,7-tricarbonitrile (CAS 1024210-19-2) is a chemical compound with molecular formula C16H20N4O2 and molecular weight 300.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-imino-1-methyl-5-propan-2-yl-7-propyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile
Also Known As: 2-imino-4-methyl-6-propan-2-yl-8-propyl-3,5-dioxabicyclo[2.2.2]octane-1,7,7-tricarbonitrile, 3-imino-1-methyl-5-(propan-2-yl)-7-propyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile, 3-imino-1-methyl-5-propan-2-yl-7-propyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile, 3-IMINO-5-ISOPROPYL-1-METHYL-7-PROPYL-2,6-DIOXABICYCLO[2.2.2]OCTANE-4,8,8-TRICARBONITRILE
| Molecular Formula | C16H20N4O2 |
|---|---|
| Molecular Weight | 300.16 g/mol |
| LogP | 2.72471 |
| Topological Polar Surface Area | 113.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.15863 |
| Heavy Atoms | 22 |
| Complexity | 609.5277 |
Chemical Identifiers
| CAS Number | 1024210-19-2 |
|---|---|
| SMILES | CCCC1C2(OC(C(C1(C#N)C#N)(C(=N)O2)C#N)C(C)C)C |
Product Overview
2-imino-4-methyl-6-propan-2-yl-8-propyl-3,5-dioxabicyclo[2.2.2]octane-1,7,7-tricarbonitrile (CAS 1024210-19-2), with molecular formula C16H20N4O2 and molecular weight 300.16 g/mol. IUPAC: 3-imino-1-methyl-5-propan-2-yl-7-propyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile.
Chemical Property Profile of 2-imino-4-methyl-6-propan-2-yl-8-propyl-3,5-dioxabicyclo[2.2.2]octane-1,7,7-tricarbonitrile
Property Insights of 2-imino-4-methyl-6-propan-2-yl-8-propyl-3,5-dioxabicyclo[2.2.2]octane-1,7,7-tricarbonitrile
The XLogP value of 2.72471 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-imino-4-methyl-6-propan-2-yl-8-propyl-3,5-dioxabicyclo[2.2.2]octane-1,7,7-tricarbonitrile. The TPSA of 113.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-imino-4-methyl-6-propan-2-yl-8-propyl-3,5-dioxabicyclo[2.2.2]octane-1,7,7-tricarbonitrile. Following Lipinski's Rule of Five, 2-imino-4-methyl-6-propan-2-yl-8-propyl-3,5-dioxabicyclo[2.2.2]octane-1,7,7-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 2-imino-4-methyl-6-propan-2-yl-8-propyl-3,5-dioxabicyclo[2.2.2]octane-1,7,7-tricarbonitrile?
The CAS number of 2-imino-4-methyl-6-propan-2-yl-8-propyl-3,5-dioxabicyclo[2.2.2]octane-1,7,7-tricarbonitrile is 1024210-19-2.
What is the molecular formula of 2-imino-4-methyl-6-propan-2-yl-8-propyl-3,5-dioxabicyclo[2.2.2]octane-1,7,7-tricarbonitrile?
The molecular formula of 2-imino-4-methyl-6-propan-2-yl-8-propyl-3,5-dioxabicyclo[2.2.2]octane-1,7,7-tricarbonitrile is C16H20N4O2.
What is the molecular weight of 2-imino-4-methyl-6-propan-2-yl-8-propyl-3,5-dioxabicyclo[2.2.2]octane-1,7,7-tricarbonitrile?
The molecular weight of 2-imino-4-methyl-6-propan-2-yl-8-propyl-3,5-dioxabicyclo[2.2.2]octane-1,7,7-tricarbonitrile is 300.16 g/mol.
Where can I buy 2-imino-4-methyl-6-propan-2-yl-8-propyl-3,5-dioxabicyclo[2.2.2]octane-1,7,7-tricarbonitrile?
You can request a quote for 2-imino-4-methyl-6-propan-2-yl-8-propyl-3,5-dioxabicyclo[2.2.2]octane-1,7,7-tricarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-imino-4-methyl-6-propan-2-yl-8-propyl-3,5-dioxabicyclo[2.2.2]octane-1,7,7-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-imino-4-methyl-6-propan-2-yl-8-propyl-3,5-dioxabicyclo[2.2.2]octane-1,7,7-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.