m-Nitrobenzylidene-p-isopropylphenylacetonitrile
TL;DR: m-Nitrobenzylidene-p-isopropylphenylacetonitrile (CAS 53466-03-8) 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.
(Z)-3-(3-nitrophenyl)-2-(4-propan-2-ylphenyl)prop-2-enenitrile
Also Known As: m-Nitrobenzylidene-p-isopropylphenylacetonitrile, (Z)-3-(3-nitrophenyl)-2-(4-propan-2-ylphenyl)prop-2-enenitrile
| 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 | 753.4018 |
Chemical Identifiers
| CAS Number | 53466-03-8 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)/C(=C/C2=CC(=CC=C2)[N+](=O)[O-])/C#N |
Product Overview
m-Nitrobenzylidene-p-isopropylphenylacetonitrile (CAS 53466-03-8), with molecular formula C18H16N2O2 and molecular weight 292.12 g/mol. IUPAC: (Z)-3-(3-nitrophenyl)-2-(4-propan-2-ylphenyl)prop-2-enenitrile.
Chemical Property Profile of m-Nitrobenzylidene-p-isopropylphenylacetonitrile
Property Insights of m-Nitrobenzylidene-p-isopropylphenylacetonitrile
The XLogP value of 4.78238 indicates that m-Nitrobenzylidene-p-isopropylphenylacetonitrile 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 m-Nitrobenzylidene-p-isopropylphenylacetonitrile. Following Lipinski's Rule of Five, m-Nitrobenzylidene-p-isopropylphenylacetonitrile 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 m-Nitrobenzylidene-p-isopropylphenylacetonitrile?
The CAS number of m-Nitrobenzylidene-p-isopropylphenylacetonitrile is 53466-03-8.
What is the molecular formula of m-Nitrobenzylidene-p-isopropylphenylacetonitrile?
The molecular formula of m-Nitrobenzylidene-p-isopropylphenylacetonitrile is C18H16N2O2.
What is the molecular weight of m-Nitrobenzylidene-p-isopropylphenylacetonitrile?
The molecular weight of m-Nitrobenzylidene-p-isopropylphenylacetonitrile is 292.12 g/mol.
Where can I buy m-Nitrobenzylidene-p-isopropylphenylacetonitrile?
You can request a quote for m-Nitrobenzylidene-p-isopropylphenylacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for m-Nitrobenzylidene-p-isopropylphenylacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for m-Nitrobenzylidene-p-isopropylphenylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.