![alpha-[[4-(1-Methylethyl)phenyl]methylene]-4-nitrobenzeneacetonitrile structure](/static/products/988/98841-66-8.png)
alpha-[[4-(1-Methylethyl)phenyl]methylene]-4-nitrobenzeneacetonitrile
TL;DR: alpha-[[4-(1-Methylethyl)phenyl]methylene]-4-nitrobenzeneacetonitrile (CAS 98841-66-8) is a chemical compound with molecular formula C18H16N2O2 and molecular weight 292.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-nitrophenyl)-3-(4-propan-2-ylphenyl)prop-2-enenitrile
Also Known As: alpha-[[4-(1-Methylethyl)phenyl]methylene]-4-nitrobenzeneacetonitrile, 2-(4-nitrophenyl)-3-(4-propan-2-ylphenyl)prop-2-enenitrile, 2-(4-Nitrophenyl)-3-[4-(propan-2-yl)phenyl]prop-2-enenitrile, alpha-((4-(1-Methylethyl)phenyl)methylene)-4-nitrobenzeneacetonitrile, I+/--[[4-(1-Methylethyl)phenyl]methylene]-4-nitrobenzeneacetonitrile
| Molecular Formula | C18H16N2O2 |
|---|---|
| Molecular Weight | 292.12 g/mol |
| LogP | 4.78238 |
| Topological Polar Surface Area | 66.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 292.1212 |
| Heavy Atoms | 22 |
| Complexity | 736.1518 |
Chemical Identifiers
| CAS Number | 98841-66-8 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C=C(C#N)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
alpha-[[4-(1-Methylethyl)phenyl]methylene]-4-nitrobenzeneacetonitrile (CAS 98841-66-8), with molecular formula C18H16N2O2 and molecular weight 292.12 g/mol. IUPAC: 2-(4-nitrophenyl)-3-(4-propan-2-ylphenyl)prop-2-enenitrile.
Chemical Property Profile of alpha-[[4-(1-Methylethyl)phenyl]methylene]-4-nitrobenzeneacetonitrile
Property Insights of alpha-[[4-(1-Methylethyl)phenyl]methylene]-4-nitrobenzeneacetonitrile
The XLogP value of 4.78238 indicates that alpha-[[4-(1-Methylethyl)phenyl]methylene]-4-nitrobenzeneacetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.93 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha-[[4-(1-Methylethyl)phenyl]methylene]-4-nitrobenzeneacetonitrile. Following Lipinski's Rule of Five, alpha-[[4-(1-Methylethyl)phenyl]methylene]-4-nitrobenzeneacetonitrile has 0 hydrogen bond donor(s) and 3 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 alpha-[[4-(1-Methylethyl)phenyl]methylene]-4-nitrobenzeneacetonitrile?
The CAS number of alpha-[[4-(1-Methylethyl)phenyl]methylene]-4-nitrobenzeneacetonitrile is 98841-66-8.
What is the molecular formula of alpha-[[4-(1-Methylethyl)phenyl]methylene]-4-nitrobenzeneacetonitrile?
The molecular formula of alpha-[[4-(1-Methylethyl)phenyl]methylene]-4-nitrobenzeneacetonitrile is C18H16N2O2.
What is the molecular weight of alpha-[[4-(1-Methylethyl)phenyl]methylene]-4-nitrobenzeneacetonitrile?
The molecular weight of alpha-[[4-(1-Methylethyl)phenyl]methylene]-4-nitrobenzeneacetonitrile is 292.12 g/mol.
Where can I buy alpha-[[4-(1-Methylethyl)phenyl]methylene]-4-nitrobenzeneacetonitrile?
You can request a quote for alpha-[[4-(1-Methylethyl)phenyl]methylene]-4-nitrobenzeneacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-[[4-(1-Methylethyl)phenyl]methylene]-4-nitrobenzeneacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for alpha-[[4-(1-Methylethyl)phenyl]methylene]-4-nitrobenzeneacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.