3-Dimethylamino-2-(4-nitro-phenyl)-acrylonitrile
TL;DR: 3-Dimethylamino-2-(4-nitro-phenyl)-acrylonitrile (CAS 5584-30-5) 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.
3-(dimethylamino)-2-(4-nitrophenyl)prop-2-enenitrile
Also Known As: (Z)-3-(dimethylamino)-2-(4-nitrophenyl)-2-propenenitrile, 3-dimethylamino-2-(4-nitro-phenyl)-acrylonitrile, 3-(dimethylamino)-2-(4-nitrophenyl)prop-2-enenitrile, Benzeneacetonitrile, alpha-[(dimethylamino)methylene]-4-nitro-
| Molecular Formula | C11H11N3O2 |
|---|---|
| Molecular Weight | 217.09 g/mol |
| LogP | 2.02088 |
| 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 | 455.11316 |
Chemical Identifiers
| CAS Number | 5584-30-5 |
|---|---|
| SMILES | CN(C)C=C(C#N)C1=CC=C(C=C1)[N+](=O)[O-] |
Product Overview
3-Dimethylamino-2-(4-nitro-phenyl)-acrylonitrile (CAS 5584-30-5), with molecular formula C11H11N3O2 and molecular weight 217.09 g/mol. IUPAC: 3-(dimethylamino)-2-(4-nitrophenyl)prop-2-enenitrile.
Chemical Property Profile of 3-Dimethylamino-2-(4-nitro-phenyl)-acrylonitrile
Property Insights of 3-Dimethylamino-2-(4-nitro-phenyl)-acrylonitrile
The XLogP value of 2.02088 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Dimethylamino-2-(4-nitro-phenyl)-acrylonitrile. The TPSA of 70.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Dimethylamino-2-(4-nitro-phenyl)-acrylonitrile. Following Lipinski's Rule of Five, 3-Dimethylamino-2-(4-nitro-phenyl)-acrylonitrile 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 3-Dimethylamino-2-(4-nitro-phenyl)-acrylonitrile?
The CAS number of 3-Dimethylamino-2-(4-nitro-phenyl)-acrylonitrile is 5584-30-5.
What is the molecular formula of 3-Dimethylamino-2-(4-nitro-phenyl)-acrylonitrile?
The molecular formula of 3-Dimethylamino-2-(4-nitro-phenyl)-acrylonitrile is C11H11N3O2.
What is the molecular weight of 3-Dimethylamino-2-(4-nitro-phenyl)-acrylonitrile?
The molecular weight of 3-Dimethylamino-2-(4-nitro-phenyl)-acrylonitrile is 217.09 g/mol.
Where can I buy 3-Dimethylamino-2-(4-nitro-phenyl)-acrylonitrile?
You can request a quote for 3-Dimethylamino-2-(4-nitro-phenyl)-acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Dimethylamino-2-(4-nitro-phenyl)-acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Dimethylamino-2-(4-nitro-phenyl)-acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.