![Bicyclo[2.2.2]oct-2-ene-2,3-dicarbonitrile structure](/static/products/976/97659-39-7.png)
Bicyclo[2.2.2]oct-2-ene-2,3-dicarbonitrile
TL;DR: Bicyclo[2.2.2]oct-2-ene-2,3-dicarbonitrile (CAS 97659-39-7) is a chemical compound with molecular formula C10H10N2 and molecular weight 158.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bicyclo[2.2.2]oct-2-ene-2,3-dicarbonitrile
Also Known As: bicyclo[2.2.2]oct-2-ene-2,3-dicarbonitrile
| Molecular Formula | C10H10N2 |
|---|---|
| Molecular Weight | 158.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 158.0844 |
| Heavy Atoms | 12 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 97659-39-7 |
|---|---|
| SMILES | C1CC2CCC1C(=C2C#N)C#N |
| InChIKey | FTWKCPDQGHRTGD-UHFFFAOYSA-N |
Product Overview
Bicyclo[2.2.2]oct-2-ene-2,3-dicarbonitrile (CAS 97659-39-7), with molecular formula C10H10N2 and molecular weight 158.08 g/mol. IUPAC: bicyclo[2.2.2]oct-2-ene-2,3-dicarbonitrile.
Chemical Property Profile of Bicyclo[2.2.2]oct-2-ene-2,3-dicarbonitrile
Property Insights of Bicyclo[2.2.2]oct-2-ene-2,3-dicarbonitrile
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bicyclo[2.2.2]oct-2-ene-2,3-dicarbonitrile. With a topological polar surface area (TPSA) of 47.6 Ų, Bicyclo[2.2.2]oct-2-ene-2,3-dicarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bicyclo[2.2.2]oct-2-ene-2,3-dicarbonitrile 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]oct-2-ene-2,3-dicarbonitrile?
The CAS number of Bicyclo[2.2.2]oct-2-ene-2,3-dicarbonitrile is 97659-39-7.
What is the molecular formula of Bicyclo[2.2.2]oct-2-ene-2,3-dicarbonitrile?
The molecular formula of Bicyclo[2.2.2]oct-2-ene-2,3-dicarbonitrile is C10H10N2.
What is the molecular weight of Bicyclo[2.2.2]oct-2-ene-2,3-dicarbonitrile?
The molecular weight of Bicyclo[2.2.2]oct-2-ene-2,3-dicarbonitrile is 158.08 g/mol.
Where can I buy Bicyclo[2.2.2]oct-2-ene-2,3-dicarbonitrile?
You can request a quote for Bicyclo[2.2.2]oct-2-ene-2,3-dicarbonitrile 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-2-ene-2,3-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for Bicyclo[2.2.2]oct-2-ene-2,3-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.