![Bicyclo[2.2.2]oct-5-ene-2,2,3,3,5-pentacarbonitrile structure](/static/products/920/92029-26-0.png)
Bicyclo[2.2.2]oct-5-ene-2,2,3,3,5-pentacarbonitrile
TL;DR: Bicyclo[2.2.2]oct-5-ene-2,2,3,3,5-pentacarbonitrile (CAS 92029-26-0) is a chemical compound with molecular formula C13H7N5 and molecular weight 233.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bicyclo[2.2.2]oct-5-ene-2,2,3,3,5-pentacarbonitrile
Also Known As: bicyclo[2.2.2]oct-5-ene-2,2,3,3,5-pentacarbonitrile
| Molecular Formula | C13H7N5 |
|---|---|
| Molecular Weight | 233.07 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 233.07014 |
| Heavy Atoms | 18 |
| Complexity | 663.0 |
Chemical Identifiers
| CAS Number | 92029-26-0 |
|---|---|
| SMILES | C1CC2C(=CC1C(C2(C#N)C#N)(C#N)C#N)C#N |
| InChIKey | DZBBCDCSMLPFOW-UHFFFAOYSA-N |
Product Overview
Bicyclo[2.2.2]oct-5-ene-2,2,3,3,5-pentacarbonitrile (CAS 92029-26-0), with molecular formula C13H7N5 and molecular weight 233.07 g/mol. IUPAC: bicyclo[2.2.2]oct-5-ene-2,2,3,3,5-pentacarbonitrile.
Chemical Property Profile of Bicyclo[2.2.2]oct-5-ene-2,2,3,3,5-pentacarbonitrile
Property Insights of Bicyclo[2.2.2]oct-5-ene-2,2,3,3,5-pentacarbonitrile
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bicyclo[2.2.2]oct-5-ene-2,2,3,3,5-pentacarbonitrile. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Bicyclo[2.2.2]oct-5-ene-2,2,3,3,5-pentacarbonitrile. Following Lipinski's Rule of Five, Bicyclo[2.2.2]oct-5-ene-2,2,3,3,5-pentacarbonitrile has 0 hydrogen bond donor(s) and 5 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]oct-5-ene-2,2,3,3,5-pentacarbonitrile?
The CAS number of Bicyclo[2.2.2]oct-5-ene-2,2,3,3,5-pentacarbonitrile is 92029-26-0.
What is the molecular formula of Bicyclo[2.2.2]oct-5-ene-2,2,3,3,5-pentacarbonitrile?
The molecular formula of Bicyclo[2.2.2]oct-5-ene-2,2,3,3,5-pentacarbonitrile is C13H7N5.
What is the molecular weight of Bicyclo[2.2.2]oct-5-ene-2,2,3,3,5-pentacarbonitrile?
The molecular weight of Bicyclo[2.2.2]oct-5-ene-2,2,3,3,5-pentacarbonitrile is 233.07 g/mol.
Where can I buy Bicyclo[2.2.2]oct-5-ene-2,2,3,3,5-pentacarbonitrile?
You can request a quote for Bicyclo[2.2.2]oct-5-ene-2,2,3,3,5-pentacarbonitrile 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]oct-5-ene-2,2,3,3,5-pentacarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for Bicyclo[2.2.2]oct-5-ene-2,2,3,3,5-pentacarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.