![4-[2-(Dimethylamino)ethenyl]-3-nitrobenzonitrile structure](/static/products/4687/468718-25-4.webp)
4-[2-(Dimethylamino)ethenyl]-3-nitrobenzonitrile
TL;DR: 4-[2-(Dimethylamino)ethenyl]-3-nitrobenzonitrile (CAS 468718-25-4) is a chemical compound with molecular formula C11H11N3O2 and molecular weight 217.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(dimethylamino)ethenyl]-3-nitrobenzonitrile
Also Known As: 4-[2-(dimethylamino)ethenyl]-3-nitrobenzonitrile, 4-(2-dimethylamino-vinyl)-3-nitro-benzonitrile, 4-(2-dimethylaminoethenyl)-3-nitro-benzonitrile
| Molecular Formula | C11H11N3O2 |
|---|---|
| Molecular Weight | 217.09 g/mol |
| LogP | 1.99878 |
| Topological Polar Surface Area | 70.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.08513 |
| Heavy Atoms | 16 |
| Complexity | 472.60828 |
Chemical Identifiers
| CAS Number | 468718-25-4 |
|---|---|
| SMILES | CN(C)C=CC1=C(C=C(C=C1)C#N)[N+](=O)[O-] |
Product Overview
4-[2-(Dimethylamino)ethenyl]-3-nitrobenzonitrile (CAS 468718-25-4), with molecular formula C11H11N3O2 and molecular weight 217.09 g/mol. IUPAC: 4-[2-(dimethylamino)ethenyl]-3-nitrobenzonitrile.
Chemical Property Profile of 4-[2-(Dimethylamino)ethenyl]-3-nitrobenzonitrile
Property Insights of 4-[2-(Dimethylamino)ethenyl]-3-nitrobenzonitrile
The XLogP value of 1.99878 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[2-(Dimethylamino)ethenyl]-3-nitrobenzonitrile. The TPSA of 70.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[2-(Dimethylamino)ethenyl]-3-nitrobenzonitrile. Following Lipinski's Rule of Five, 4-[2-(Dimethylamino)ethenyl]-3-nitrobenzonitrile has 0 hydrogen bond donor(s) and 4 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-(Dimethylamino)ethenyl]-3-nitrobenzonitrile?
The CAS number of 4-[2-(Dimethylamino)ethenyl]-3-nitrobenzonitrile is 468718-25-4.
What is the molecular formula of 4-[2-(Dimethylamino)ethenyl]-3-nitrobenzonitrile?
The molecular formula of 4-[2-(Dimethylamino)ethenyl]-3-nitrobenzonitrile is C11H11N3O2.
What is the molecular weight of 4-[2-(Dimethylamino)ethenyl]-3-nitrobenzonitrile?
The molecular weight of 4-[2-(Dimethylamino)ethenyl]-3-nitrobenzonitrile is 217.09 g/mol.
Where can I buy 4-[2-(Dimethylamino)ethenyl]-3-nitrobenzonitrile?
You can request a quote for 4-[2-(Dimethylamino)ethenyl]-3-nitrobenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[2-(Dimethylamino)ethenyl]-3-nitrobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[2-(Dimethylamino)ethenyl]-3-nitrobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.