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Bicyclo[2.2.2]oct-5-ene-2,2,3,3-tetracarbonitrile
TL;DR: Bicyclo[2.2.2]oct-5-ene-2,2,3,3-tetracarbonitrile (CAS 1017-93-2) is a chemical compound with molecular formula C12H8N4 and molecular weight 208.07 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-tetracarbonitrile
Also Known As: Bicyclo[2.2.2]oct-5-ene-2,2,3,3-tetracarbonitrile, 4-09-00-03799 (Beilstein Handbook Reference), BICYCLO(2.2.2)OCT-5-ENE-2,2,3,3-TETRACARBONITRILE, 2,2,3,3-Tetracyano bicyclo <2,2,2> octen, 2,2,3,3-tetra-cyanobicyclo[2.2.2]oct-5-ene
| Molecular Formula | C12H8N4 |
|---|---|
| Molecular Weight | 208.07 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 208.07489 |
| Heavy Atoms | 16 |
| Complexity | 477.0 |
Chemical Identifiers
| CAS Number | 1017-93-2 |
|---|---|
| SMILES | C1CC2C=CC1C(C2(C#N)C#N)(C#N)C#N |
| InChIKey | GFDRDNGZQZLSRI-UHFFFAOYSA-N |
Product Overview
Bicyclo[2.2.2]oct-5-ene-2,2,3,3-tetracarbonitrile (CAS 1017-93-2), with molecular formula C12H8N4 and molecular weight 208.07 g/mol. IUPAC: bicyclo[2.2.2]oct-5-ene-2,2,3,3-tetracarbonitrile.
Chemical Property Profile of Bicyclo[2.2.2]oct-5-ene-2,2,3,3-tetracarbonitrile
Property Insights of Bicyclo[2.2.2]oct-5-ene-2,2,3,3-tetracarbonitrile
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bicyclo[2.2.2]oct-5-ene-2,2,3,3-tetracarbonitrile. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Bicyclo[2.2.2]oct-5-ene-2,2,3,3-tetracarbonitrile. Following Lipinski's Rule of Five, Bicyclo[2.2.2]oct-5-ene-2,2,3,3-tetracarbonitrile has 0 hydrogen bond donor(s) and 4 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-tetracarbonitrile?
The CAS number of Bicyclo[2.2.2]oct-5-ene-2,2,3,3-tetracarbonitrile is 1017-93-2.
What is the molecular formula of Bicyclo[2.2.2]oct-5-ene-2,2,3,3-tetracarbonitrile?
The molecular formula of Bicyclo[2.2.2]oct-5-ene-2,2,3,3-tetracarbonitrile is C12H8N4.
What is the molecular weight of Bicyclo[2.2.2]oct-5-ene-2,2,3,3-tetracarbonitrile?
The molecular weight of Bicyclo[2.2.2]oct-5-ene-2,2,3,3-tetracarbonitrile is 208.07 g/mol.
Where can I buy Bicyclo[2.2.2]oct-5-ene-2,2,3,3-tetracarbonitrile?
You can request a quote for Bicyclo[2.2.2]oct-5-ene-2,2,3,3-tetracarbonitrile 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-tetracarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for Bicyclo[2.2.2]oct-5-ene-2,2,3,3-tetracarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.