![3-imino-1,7-dimethyl-5-(thiophen-2-yl)-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile structure](/static/products/102/1022801-67-7.webp)
3-imino-1,7-dimethyl-5-(thiophen-2-yl)-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile
TL;DR: 3-imino-1,7-dimethyl-5-(thiophen-2-yl)-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile (CAS 1022801-67-7) is a chemical compound with molecular formula C15H12N4O2S and molecular weight 312.06808 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-imino-1,7-dimethyl-5-thiophen-2-yl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile
Also Known As: 3-imino-1,7-dimethyl-5-(thiophen-2-yl)-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile, 2-imino-4,8-dimethyl-6-thiophen-2-yl-3,5-dioxabicyclo[2.2.2]octane-1,7,7-tricarbonitrile, 3-imino-1,7-dimethyl-5-thiophen-2-yl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile
Technical Specifications
| Molecular Formula | C15H12N4O2S |
| Molecular Weight | 312.06808 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 142.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 312.06808 Da |
| Heavy Atoms | 22 |
| Complexity | 678.0 |
| SMILES | CC1C2(OC(C(C1(C#N)C#N)(C(=N)O2)C#N)C3=CC=CS3)C |
| InChIKey | FGBWBNDZYDGSHA-UHFFFAOYSA-N |
Chemical Property Profile of 3-imino-1,7-dimethyl-5-(thiophen-2-yl)-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile
Property Insights of 3-imino-1,7-dimethyl-5-(thiophen-2-yl)-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-imino-1,7-dimethyl-5-(thiophen-2-yl)-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile. The TPSA of 142.0 Ų indicates high polarity, suggesting 3-imino-1,7-dimethyl-5-(thiophen-2-yl)-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-imino-1,7-dimethyl-5-(thiophen-2-yl)-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-imino-1,7-dimethyl-5-(thiophen-2-yl)-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile?
The CAS number of 3-imino-1,7-dimethyl-5-(thiophen-2-yl)-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile is 1022801-67-7.
What is the molecular formula of 3-imino-1,7-dimethyl-5-(thiophen-2-yl)-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile?
The molecular formula of 3-imino-1,7-dimethyl-5-(thiophen-2-yl)-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile is C15H12N4O2S.
What is the molecular weight of 3-imino-1,7-dimethyl-5-(thiophen-2-yl)-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile?
The molecular weight of 3-imino-1,7-dimethyl-5-(thiophen-2-yl)-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile is 312.06808 g/mol.
Where can I buy 3-imino-1,7-dimethyl-5-(thiophen-2-yl)-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile?
You can request a quote for 3-imino-1,7-dimethyl-5-(thiophen-2-yl)-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-imino-1,7-dimethyl-5-(thiophen-2-yl)-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile?
Yes, CoreyChem provides custom synthesis services for 3-imino-1,7-dimethyl-5-(thiophen-2-yl)-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.