p-Nitrobenzylidene-p-chlorophenylacetonitrile
TL;DR: p-Nitrobenzylidene-p-chlorophenylacetonitrile (CAS 104089-73-8) is a chemical compound with molecular formula C15H9ClN2O2 and molecular weight 284.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-2-(4-chlorophenyl)-3-(4-nitrophenyl)prop-2-enenitrile
Also Known As: p-Nitrobenzylidene-p-chlorophenylacetonitrile, (Z)-2-(4-chlorophenyl)-3-(4-nitrophenyl)prop-2-enenitrile, (2Z)-2-(4-chlorophenyl)-3-(4-nitrophenyl)acrylonitrile
| Molecular Formula | C15H9ClN2O2 |
|---|---|
| Molecular Weight | 284.04 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.03525 |
| Heavy Atoms | 20 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 104089-73-8 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C(\C#N)/C2=CC=C(C=C2)Cl)[N+](=O)[O-] |
| InChIKey | FOORLSCUARJPCY-UKTHLTGXSA-N |
Product Overview
p-Nitrobenzylidene-p-chlorophenylacetonitrile (CAS 104089-73-8), with molecular formula C15H9ClN2O2 and molecular weight 284.04 g/mol. IUPAC: (Z)-2-(4-chlorophenyl)-3-(4-nitrophenyl)prop-2-enenitrile.
Chemical Property Profile of p-Nitrobenzylidene-p-chlorophenylacetonitrile
Property Insights of p-Nitrobenzylidene-p-chlorophenylacetonitrile
The XLogP value of 4.2 indicates that p-Nitrobenzylidene-p-chlorophenylacetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for p-Nitrobenzylidene-p-chlorophenylacetonitrile. Following Lipinski's Rule of Five, p-Nitrobenzylidene-p-chlorophenylacetonitrile 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 p-Nitrobenzylidene-p-chlorophenylacetonitrile?
The CAS number of p-Nitrobenzylidene-p-chlorophenylacetonitrile is 104089-73-8.
What is the molecular formula of p-Nitrobenzylidene-p-chlorophenylacetonitrile?
The molecular formula of p-Nitrobenzylidene-p-chlorophenylacetonitrile is C15H9ClN2O2.
What is the molecular weight of p-Nitrobenzylidene-p-chlorophenylacetonitrile?
The molecular weight of p-Nitrobenzylidene-p-chlorophenylacetonitrile is 284.04 g/mol.
Where can I buy p-Nitrobenzylidene-p-chlorophenylacetonitrile?
You can request a quote for p-Nitrobenzylidene-p-chlorophenylacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Nitrobenzylidene-p-chlorophenylacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for p-Nitrobenzylidene-p-chlorophenylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.