2-Aminoazulene-1,3-dicarbonitrile
TL;DR: 2-Aminoazulene-1,3-dicarbonitrile (CAS 3786-66-1) is a chemical compound with molecular formula C12H7N3 and molecular weight 193.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-aminoazulene-1,3-dicarbonitrile
Also Known As: 2-aminoazulene-1,3-dicarbonitrile, 2-Amino-1,3-dicyanoazulene, 1,3-Azulenedicarbonitrile, 2-amino-, 1,3-Azulenedicarbonitrile,2-amino, 2-Amino-1,3-azulenedicarbonitrile
| Molecular Formula | C12H7N3 |
|---|---|
| Molecular Weight | 193.06 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 73.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 193.064 |
| Heavy Atoms | 15 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 3786-66-1 |
|---|---|
| SMILES | C1=CC=C2C(=C(C(=C2C#N)N)C#N)C=C1 |
| InChIKey | YNZJVRSNCQQZDY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Aminoazulene-1,3-dicarbonitrile (CAS 3786-66-1), with molecular formula C12H7N3 and molecular weight 193.06 g/mol. IUPAC: 2-aminoazulene-1,3-dicarbonitrile.
Chemical Property Profile of 2-Aminoazulene-1,3-dicarbonitrile
Property Insights of 2-Aminoazulene-1,3-dicarbonitrile
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Aminoazulene-1,3-dicarbonitrile. The TPSA of 73.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Aminoazulene-1,3-dicarbonitrile. Following Lipinski's Rule of Five, 2-Aminoazulene-1,3-dicarbonitrile has 1 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-Aminoazulene-1,3-dicarbonitrile?
The CAS number of 2-Aminoazulene-1,3-dicarbonitrile is 3786-66-1.
What is the molecular formula of 2-Aminoazulene-1,3-dicarbonitrile?
The molecular formula of 2-Aminoazulene-1,3-dicarbonitrile is C12H7N3.
What is the molecular weight of 2-Aminoazulene-1,3-dicarbonitrile?
The molecular weight of 2-Aminoazulene-1,3-dicarbonitrile is 193.06 g/mol.
Where can I buy 2-Aminoazulene-1,3-dicarbonitrile?
You can request a quote for 2-Aminoazulene-1,3-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Aminoazulene-1,3-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Aminoazulene-1,3-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.