2-(Azulen-1-yl)ethene-1,1,2-tricarbonitrile
TL;DR: 2-(Azulen-1-yl)ethene-1,1,2-tricarbonitrile (CAS 56454-38-7) is a chemical compound with molecular formula C15H7N3 and molecular weight 229.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-azulen-1-ylethene-1,1,2-tricarbonitrile
Also Known As: 3-Tricyanvinylazulene, 2-azulen-1-ylethene-1,1,2-tricarbonitrile, 2-(azulen-1-yl)ethene-1,1,2-tricarbonitrile
| Molecular Formula | C15H7N3 |
|---|---|
| Molecular Weight | 229.06 g/mol |
| LogP | 3.11574 |
| Topological Polar Surface Area | 71.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 229.064 |
| Heavy Atoms | 18 |
| Complexity | 704.61224 |
Chemical Identifiers
| CAS Number | 56454-38-7 |
|---|---|
| SMILES | C1=CC=C2C=CC(=C2C=C1)C(=C(C#N)C#N)C#N |
Product Overview
2-(Azulen-1-yl)ethene-1,1,2-tricarbonitrile (CAS 56454-38-7), with molecular formula C15H7N3 and molecular weight 229.06 g/mol. IUPAC: 2-azulen-1-ylethene-1,1,2-tricarbonitrile.
Chemical Property Profile of 2-(Azulen-1-yl)ethene-1,1,2-tricarbonitrile
Property Insights of 2-(Azulen-1-yl)ethene-1,1,2-tricarbonitrile
The XLogP value of 3.11574 indicates that 2-(Azulen-1-yl)ethene-1,1,2-tricarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Azulen-1-yl)ethene-1,1,2-tricarbonitrile. Following Lipinski's Rule of Five, 2-(Azulen-1-yl)ethene-1,1,2-tricarbonitrile has 0 hydrogen bond donor(s) and 3 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-(Azulen-1-yl)ethene-1,1,2-tricarbonitrile?
The CAS number of 2-(Azulen-1-yl)ethene-1,1,2-tricarbonitrile is 56454-38-7.
What is the molecular formula of 2-(Azulen-1-yl)ethene-1,1,2-tricarbonitrile?
The molecular formula of 2-(Azulen-1-yl)ethene-1,1,2-tricarbonitrile is C15H7N3.
What is the molecular weight of 2-(Azulen-1-yl)ethene-1,1,2-tricarbonitrile?
The molecular weight of 2-(Azulen-1-yl)ethene-1,1,2-tricarbonitrile is 229.06 g/mol.
Where can I buy 2-(Azulen-1-yl)ethene-1,1,2-tricarbonitrile?
You can request a quote for 2-(Azulen-1-yl)ethene-1,1,2-tricarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Azulen-1-yl)ethene-1,1,2-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Azulen-1-yl)ethene-1,1,2-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.