2-(4,5-Dimethoxy-2-nitrophenyl)-3-pyridin-2-ylprop-2-enenitrile
TL;DR: 2-(4,5-Dimethoxy-2-nitrophenyl)-3-pyridin-2-ylprop-2-enenitrile (CAS 5415-51-0) is a chemical compound with molecular formula C16H13N3O4 and molecular weight 311.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,5-dimethoxy-2-nitrophenyl)-3-pyridin-2-ylprop-2-enenitrile
Also Known As: 2-(4,5-dimethoxy-2-nitrophenyl)-3-pyridin-2-ylprop-2-enenitr, (Z)-2-(4,5-Dimethoxy-2-nitrophenyl)-3-(2-pyridyl)acrylonitrile, 2-(4,5-dimethoxy-2-nitro-phenyl)-3-(2-pyridyl)prop-2-enenitrile, 2-(4,5-dimethoxy-2-nitrophenyl)-3-pyridin-2-ylprop-2-enenitrile, 2-Pyridineacrylonitrile,a-(4,5-dimethoxy-2-nitrophenyl)-(6CI,8CI)
| Molecular Formula | C16H13N3O4 |
|---|---|
| Molecular Weight | 311.09 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.0906 |
| Heavy Atoms | 23 |
| Complexity | 493.0 |
Chemical Identifiers
| CAS Number | 5415-51-0 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C(=CC2=CC=CC=N2)C#N)[N+](=O)[O-])OC |
| InChIKey | NPNGKQVZNIPDKT-UHFFFAOYSA-N |
Product Overview
2-(4,5-Dimethoxy-2-nitrophenyl)-3-pyridin-2-ylprop-2-enenitrile (CAS 5415-51-0), with molecular formula C16H13N3O4 and molecular weight 311.09 g/mol. IUPAC: 2-(4,5-dimethoxy-2-nitrophenyl)-3-pyridin-2-ylprop-2-enenitrile.
Chemical Property Profile of 2-(4,5-Dimethoxy-2-nitrophenyl)-3-pyridin-2-ylprop-2-enenitrile
Property Insights of 2-(4,5-Dimethoxy-2-nitrophenyl)-3-pyridin-2-ylprop-2-enenitrile
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4,5-Dimethoxy-2-nitrophenyl)-3-pyridin-2-ylprop-2-enenitrile. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4,5-Dimethoxy-2-nitrophenyl)-3-pyridin-2-ylprop-2-enenitrile. Following Lipinski's Rule of Five, 2-(4,5-Dimethoxy-2-nitrophenyl)-3-pyridin-2-ylprop-2-enenitrile has 0 hydrogen bond donor(s) and 6 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-(4,5-Dimethoxy-2-nitrophenyl)-3-pyridin-2-ylprop-2-enenitrile?
The CAS number of 2-(4,5-Dimethoxy-2-nitrophenyl)-3-pyridin-2-ylprop-2-enenitrile is 5415-51-0.
What is the molecular formula of 2-(4,5-Dimethoxy-2-nitrophenyl)-3-pyridin-2-ylprop-2-enenitrile?
The molecular formula of 2-(4,5-Dimethoxy-2-nitrophenyl)-3-pyridin-2-ylprop-2-enenitrile is C16H13N3O4.
What is the molecular weight of 2-(4,5-Dimethoxy-2-nitrophenyl)-3-pyridin-2-ylprop-2-enenitrile?
The molecular weight of 2-(4,5-Dimethoxy-2-nitrophenyl)-3-pyridin-2-ylprop-2-enenitrile is 311.09 g/mol.
Where can I buy 2-(4,5-Dimethoxy-2-nitrophenyl)-3-pyridin-2-ylprop-2-enenitrile?
You can request a quote for 2-(4,5-Dimethoxy-2-nitrophenyl)-3-pyridin-2-ylprop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4,5-Dimethoxy-2-nitrophenyl)-3-pyridin-2-ylprop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4,5-Dimethoxy-2-nitrophenyl)-3-pyridin-2-ylprop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.