2,3-Dicyanobicyclo(2.2.2)octa-2,5-diene
TL;DR: 2,3-Dicyanobicyclo(2.2.2)octa-2,5-diene (CAS 19005-04-0) is a chemical compound with molecular formula C10H8N2 and molecular weight 156.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bicyclo[2.2.2]octa-2,5-diene-2,3-dicarbonitrile
Also Known As: 2,3-Dicyanobicyclo(2.2.2)octa-2,5-diene, bicyclo[2.2.2]octa-2,5-diene-2,3-dicarbonitrile, 2,3-Dicyanobicyclo[2.2.2]octa-2,5-diene
| Molecular Formula | C10H8N2 |
|---|---|
| Molecular Weight | 156.07 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 156.06874 |
| Heavy Atoms | 12 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 19005-04-0 |
|---|---|
| SMILES | C1CC2C=CC1C(=C2C#N)C#N |
| InChIKey | RLNADZKFZHHARG-UHFFFAOYSA-N |
Product Overview
2,3-Dicyanobicyclo(2.2.2)octa-2,5-diene (CAS 19005-04-0), with molecular formula C10H8N2 and molecular weight 156.07 g/mol. IUPAC: bicyclo[2.2.2]octa-2,5-diene-2,3-dicarbonitrile.
Chemical Property Profile of 2,3-Dicyanobicyclo(2.2.2)octa-2,5-diene
Property Insights of 2,3-Dicyanobicyclo(2.2.2)octa-2,5-diene
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dicyanobicyclo(2.2.2)octa-2,5-diene. With a topological polar surface area (TPSA) of 47.6 Ų, 2,3-Dicyanobicyclo(2.2.2)octa-2,5-diene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dicyanobicyclo(2.2.2)octa-2,5-diene 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 2,3-Dicyanobicyclo(2.2.2)octa-2,5-diene?
The CAS number of 2,3-Dicyanobicyclo(2.2.2)octa-2,5-diene is 19005-04-0.
What is the molecular formula of 2,3-Dicyanobicyclo(2.2.2)octa-2,5-diene?
The molecular formula of 2,3-Dicyanobicyclo(2.2.2)octa-2,5-diene is C10H8N2.
What is the molecular weight of 2,3-Dicyanobicyclo(2.2.2)octa-2,5-diene?
The molecular weight of 2,3-Dicyanobicyclo(2.2.2)octa-2,5-diene is 156.07 g/mol.
Where can I buy 2,3-Dicyanobicyclo(2.2.2)octa-2,5-diene?
You can request a quote for 2,3-Dicyanobicyclo(2.2.2)octa-2,5-diene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dicyanobicyclo(2.2.2)octa-2,5-diene?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dicyanobicyclo(2.2.2)octa-2,5-diene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.