![4-[(2-Cyanoeth-1-en-1-yl)amino]benzonitrile structure](/static/products/3389/338959-90-3.webp)
4-[(2-Cyanoeth-1-en-1-yl)amino]benzonitrile
TL;DR: 4-[(2-Cyanoeth-1-en-1-yl)amino]benzonitrile (CAS 338959-90-3) is a chemical compound with molecular formula C10H7N3 and molecular weight 169.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-cyanoethenylamino)benzonitrile
Also Known As: 4-(2-cyanoethenylamino)benzonitrile, 4-[(2-Cyanoethenyl)amino]benzonitrile, 4-[(2-cyanoeth-1-en-1-yl)amino]benzonitrile, 4-[(2-cyanovinyl)amino]benzenecarbonitrile
| Molecular Formula | C10H7N3 |
|---|---|
| Molecular Weight | 169.06 g/mol |
| LogP | 2.00746 |
| Topological Polar Surface Area | 59.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 169.064 |
| Heavy Atoms | 13 |
| Complexity | 376.11627 |
Chemical Identifiers
| CAS Number | 338959-90-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)NC=CC#N |
Product Overview
4-[(2-Cyanoeth-1-en-1-yl)amino]benzonitrile (CAS 338959-90-3), with molecular formula C10H7N3 and molecular weight 169.06 g/mol. IUPAC: 4-(2-cyanoethenylamino)benzonitrile.
Chemical Property Profile of 4-[(2-Cyanoeth-1-en-1-yl)amino]benzonitrile
Property Insights of 4-[(2-Cyanoeth-1-en-1-yl)amino]benzonitrile
The XLogP value of 2.00746 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(2-Cyanoeth-1-en-1-yl)amino]benzonitrile. With a topological polar surface area (TPSA) of 59.61 Ų, 4-[(2-Cyanoeth-1-en-1-yl)amino]benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(2-Cyanoeth-1-en-1-yl)amino]benzonitrile 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 4-[(2-Cyanoeth-1-en-1-yl)amino]benzonitrile?
The CAS number of 4-[(2-Cyanoeth-1-en-1-yl)amino]benzonitrile is 338959-90-3.
What is the molecular formula of 4-[(2-Cyanoeth-1-en-1-yl)amino]benzonitrile?
The molecular formula of 4-[(2-Cyanoeth-1-en-1-yl)amino]benzonitrile is C10H7N3.
What is the molecular weight of 4-[(2-Cyanoeth-1-en-1-yl)amino]benzonitrile?
The molecular weight of 4-[(2-Cyanoeth-1-en-1-yl)amino]benzonitrile is 169.06 g/mol.
Where can I buy 4-[(2-Cyanoeth-1-en-1-yl)amino]benzonitrile?
You can request a quote for 4-[(2-Cyanoeth-1-en-1-yl)amino]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(2-Cyanoeth-1-en-1-yl)amino]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2-Cyanoeth-1-en-1-yl)amino]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.