3-(3,4-Dimethoxyphenyl)-2-(4-nitrophenyl)acrylonitrile
TL;DR: 3-(3,4-Dimethoxyphenyl)-2-(4-nitrophenyl)acrylonitrile (CAS 2958-39-6) is a chemical compound with molecular formula C17H14N2O4 and molecular weight 310.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-(3,4-dimethoxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile
Also Known As: 3,4-Dichloro-5-nitro-pyridin, 3-(3,4-dimethoxyphenyl)-2-(4-nitrophenyl)acrylonitrile, J3.267.360K, (Z)-3-(3,4-dimethoxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile, 3-(3,4-dimethoxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile
| Molecular Formula | C17H14N2O4 |
|---|---|
| Molecular Weight | 310.10 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 88.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 310.09537 |
| Heavy Atoms | 23 |
| Complexity | 483.0 |
Chemical Identifiers
| CAS Number | 2958-39-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C(\C#N)/C2=CC=C(C=C2)[N+](=O)[O-])OC |
| InChIKey | NVGDUIGLWVUGCD-NTEUORMPSA-N |
Product Overview
3-(3,4-Dimethoxyphenyl)-2-(4-nitrophenyl)acrylonitrile (CAS 2958-39-6), with molecular formula C17H14N2O4 and molecular weight 310.10 g/mol. IUPAC: (Z)-3-(3,4-dimethoxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile.
Chemical Property Profile of 3-(3,4-Dimethoxyphenyl)-2-(4-nitrophenyl)acrylonitrile
Property Insights of 3-(3,4-Dimethoxyphenyl)-2-(4-nitrophenyl)acrylonitrile
The XLogP value of 3.5 indicates that 3-(3,4-Dimethoxyphenyl)-2-(4-nitrophenyl)acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3,4-Dimethoxyphenyl)-2-(4-nitrophenyl)acrylonitrile. Following Lipinski's Rule of Five, 3-(3,4-Dimethoxyphenyl)-2-(4-nitrophenyl)acrylonitrile has 0 hydrogen bond donor(s) and 5 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-(3,4-Dimethoxyphenyl)-2-(4-nitrophenyl)acrylonitrile?
The CAS number of 3-(3,4-Dimethoxyphenyl)-2-(4-nitrophenyl)acrylonitrile is 2958-39-6.
What is the molecular formula of 3-(3,4-Dimethoxyphenyl)-2-(4-nitrophenyl)acrylonitrile?
The molecular formula of 3-(3,4-Dimethoxyphenyl)-2-(4-nitrophenyl)acrylonitrile is C17H14N2O4.
What is the molecular weight of 3-(3,4-Dimethoxyphenyl)-2-(4-nitrophenyl)acrylonitrile?
The molecular weight of 3-(3,4-Dimethoxyphenyl)-2-(4-nitrophenyl)acrylonitrile is 310.10 g/mol.
Where can I buy 3-(3,4-Dimethoxyphenyl)-2-(4-nitrophenyl)acrylonitrile?
You can request a quote for 3-(3,4-Dimethoxyphenyl)-2-(4-nitrophenyl)acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,4-Dimethoxyphenyl)-2-(4-nitrophenyl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-Dimethoxyphenyl)-2-(4-nitrophenyl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.