Bicyclo(2.2.2)octa-2,5-diene-2,3-dicarbonitrile, 5,6-dimethyl-
TL;DR: Bicyclo(2.2.2)octa-2,5-diene-2,3-dicarbonitrile, 5,6-dimethyl- (CAS 109364-69-4) is a chemical compound with molecular formula C12H12N2 and molecular weight 184.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-dimethylbicyclo[2.2.2]octa-2,5-diene-2,3-dicarbonitrile
Also Known As: Bicyclo(2.2.2)octa-2,5-diene-2,3-dicarbonitrile, 5,6-dimethyl-, 5,6-dimethylbicyclo[2.2.2]octa-2,5-diene-2,3-dicarbonitrile, Bicyclo[2.2.2]octa-2,5-diene-2,3-dicarbonitrile,5,6-dimethyl-, Bicyclo[2.2.2]octa-2,5-diene-2,3-dicarbonitrile, 5,6-dimethyl-, Bicyclo[2.2.2]octa-2,5-diene-2,3-dicarbonitrile,5,6-dimethyl
| Molecular Formula | C12H12N2 |
|---|---|
| Molecular Weight | 184.10 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 184.10005 |
| Heavy Atoms | 14 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 109364-69-4 |
|---|---|
| SMILES | CC1=C(C2CCC1C(=C2C#N)C#N)C |
| InChIKey | VULNZCUIMNOQQZ-UHFFFAOYSA-N |
Product Overview
Bicyclo(2.2.2)octa-2,5-diene-2,3-dicarbonitrile, 5,6-dimethyl- (CAS 109364-69-4), with molecular formula C12H12N2 and molecular weight 184.10 g/mol. IUPAC: 5,6-dimethylbicyclo[2.2.2]octa-2,5-diene-2,3-dicarbonitrile.
Chemical Property Profile of Bicyclo(2.2.2)octa-2,5-diene-2,3-dicarbonitrile, 5,6-dimethyl-
Property Insights of Bicyclo(2.2.2)octa-2,5-diene-2,3-dicarbonitrile, 5,6-dimethyl-
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bicyclo(2.2.2)octa-2,5-diene-2,3-dicarbonitrile, 5,6-dimethyl-. With a topological polar surface area (TPSA) of 47.6 Ų, Bicyclo(2.2.2)octa-2,5-diene-2,3-dicarbonitrile, 5,6-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bicyclo(2.2.2)octa-2,5-diene-2,3-dicarbonitrile, 5,6-dimethyl- has 0 hydrogen bond donor(s) and 2 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 Bicyclo(2.2.2)octa-2,5-diene-2,3-dicarbonitrile, 5,6-dimethyl-?
The CAS number of Bicyclo(2.2.2)octa-2,5-diene-2,3-dicarbonitrile, 5,6-dimethyl- is 109364-69-4.
What is the molecular formula of Bicyclo(2.2.2)octa-2,5-diene-2,3-dicarbonitrile, 5,6-dimethyl-?
The molecular formula of Bicyclo(2.2.2)octa-2,5-diene-2,3-dicarbonitrile, 5,6-dimethyl- is C12H12N2.
What is the molecular weight of Bicyclo(2.2.2)octa-2,5-diene-2,3-dicarbonitrile, 5,6-dimethyl-?
The molecular weight of Bicyclo(2.2.2)octa-2,5-diene-2,3-dicarbonitrile, 5,6-dimethyl- is 184.10 g/mol.
Where can I buy Bicyclo(2.2.2)octa-2,5-diene-2,3-dicarbonitrile, 5,6-dimethyl-?
You can request a quote for Bicyclo(2.2.2)octa-2,5-diene-2,3-dicarbonitrile, 5,6-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bicyclo(2.2.2)octa-2,5-diene-2,3-dicarbonitrile, 5,6-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Bicyclo(2.2.2)octa-2,5-diene-2,3-dicarbonitrile, 5,6-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.