![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.png)
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 312.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C15H12N4O2S |
|---|---|
| Molecular Weight | 312.07 g/mol |
| LogP | 2.72271 |
| Topological Polar Surface Area | 113.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 312.06808 |
| Heavy Atoms | 22 |
| Complexity | 754.9436 |
Chemical Identifiers
| CAS Number | 1022801-67-7 |
|---|---|
| SMILES | CC1C2(OC(C(C1(C#N)C#N)(C(=N)O2)C#N)C3=CC=CS3)C |
Product Overview
3-imino-1,7-dimethyl-5-(thiophen-2-yl)-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile (CAS 1022801-67-7), with molecular formula C15H12N4O2S and molecular weight 312.07 g/mol. IUPAC: 3-imino-1,7-dimethyl-5-thiophen-2-yl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile.
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 2.72271 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 113.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-imino-1,7-dimethyl-5-(thiophen-2-yl)-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile. 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
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 312.07 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO 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, KEHONG BIO 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.