(E)-3-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-2-(4-nitrophenyl)prop-2-enenitrile
TL;DR: (E)-3-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-2-(4-nitrophenyl)prop-2-enenitrile (CAS 675857-91-7) is a chemical compound with molecular formula C21H22N2O3 and molecular weight 350.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-2-(4-nitrophenyl)prop-2-enenitrile
Also Known As: (2E)-3-[4-ethoxy-2-methyl-5-(propan-2-yl)phenyl]-2-(4-nitrophenyl)prop-2-enenitrile, (E)-3-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-2-(4-nitrophenyl)prop-2-enenitrile
| Molecular Formula | C21H22N2O3 |
|---|---|
| Molecular Weight | 350.16 g/mol |
| LogP | 5.4895 |
| Topological Polar Surface Area | 76.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 350.16306 |
| Heavy Atoms | 26 |
| Complexity | 875.36456 |
Chemical Identifiers
| CAS Number | 675857-91-7 |
|---|---|
| SMILES | CCOC1=C(C=C(C(=C1)C)/C=C(/C#N)\C2=CC=C(C=C2)[N+](=O)[O-])C(C)C |
Product Overview
(E)-3-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-2-(4-nitrophenyl)prop-2-enenitrile (CAS 675857-91-7), with molecular formula C21H22N2O3 and molecular weight 350.16 g/mol. IUPAC: (E)-3-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-2-(4-nitrophenyl)prop-2-enenitrile.
Chemical Property Profile of (E)-3-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-2-(4-nitrophenyl)prop-2-enenitrile
Property Insights of (E)-3-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-2-(4-nitrophenyl)prop-2-enenitrile
The XLogP value of 5.4895 indicates that (E)-3-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-2-(4-nitrophenyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.16 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-2-(4-nitrophenyl)prop-2-enenitrile. Following Lipinski's Rule of Five, (E)-3-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-2-(4-nitrophenyl)prop-2-enenitrile has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-3-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-2-(4-nitrophenyl)prop-2-enenitrile?
The CAS number of (E)-3-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-2-(4-nitrophenyl)prop-2-enenitrile is 675857-91-7.
What is the molecular formula of (E)-3-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-2-(4-nitrophenyl)prop-2-enenitrile?
The molecular formula of (E)-3-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-2-(4-nitrophenyl)prop-2-enenitrile is C21H22N2O3.
What is the molecular weight of (E)-3-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-2-(4-nitrophenyl)prop-2-enenitrile?
The molecular weight of (E)-3-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-2-(4-nitrophenyl)prop-2-enenitrile is 350.16 g/mol.
Where can I buy (E)-3-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-2-(4-nitrophenyl)prop-2-enenitrile?
You can request a quote for (E)-3-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-2-(4-nitrophenyl)prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-2-(4-nitrophenyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-2-(4-nitrophenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.