2-(4-Chlorophenyl)-3-(3-nitrophenyl)prop-2-enenitrile
TL;DR: 2-(4-Chlorophenyl)-3-(3-nitrophenyl)prop-2-enenitrile (CAS 104089-72-7) 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.
2-(4-chlorophenyl)-3-(3-nitrophenyl)prop-2-enenitrile
Also Known As: m-Nitrobenzylidene-p-chlorophenylacetonitrile, 2-(4-chlorophenyl)-3-(3-nitrophenyl)prop-2-enenitrile, (Z)-2-(4-chlorophenyl)-3-(3-nitrophenyl)acrylonitrile, (2Z)-2-(4-chlorophenyl)-3-(3-nitrophenyl)acrylonitrile, (Z)-2-(4-chlorophenyl)-3-(3-nitrophenyl)prop-2-enenitrile
| 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 | 427.0 |
Chemical Identifiers
| CAS Number | 104089-72-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C=C(C#N)C2=CC=C(C=C2)Cl |
| InChIKey | RTDWPLYDMXBIEL-UHFFFAOYSA-N |
Product Overview
2-(4-Chlorophenyl)-3-(3-nitrophenyl)prop-2-enenitrile (CAS 104089-72-7), with molecular formula C15H9ClN2O2 and molecular weight 284.04 g/mol. IUPAC: 2-(4-chlorophenyl)-3-(3-nitrophenyl)prop-2-enenitrile.
Chemical Property Profile of 2-(4-Chlorophenyl)-3-(3-nitrophenyl)prop-2-enenitrile
Property Insights of 2-(4-Chlorophenyl)-3-(3-nitrophenyl)prop-2-enenitrile
The XLogP value of 4.2 indicates that 2-(4-Chlorophenyl)-3-(3-nitrophenyl)prop-2-enenitrile 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 2-(4-Chlorophenyl)-3-(3-nitrophenyl)prop-2-enenitrile. Following Lipinski's Rule of Five, 2-(4-Chlorophenyl)-3-(3-nitrophenyl)prop-2-enenitrile 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 2-(4-Chlorophenyl)-3-(3-nitrophenyl)prop-2-enenitrile?
The CAS number of 2-(4-Chlorophenyl)-3-(3-nitrophenyl)prop-2-enenitrile is 104089-72-7.
What is the molecular formula of 2-(4-Chlorophenyl)-3-(3-nitrophenyl)prop-2-enenitrile?
The molecular formula of 2-(4-Chlorophenyl)-3-(3-nitrophenyl)prop-2-enenitrile is C15H9ClN2O2.
What is the molecular weight of 2-(4-Chlorophenyl)-3-(3-nitrophenyl)prop-2-enenitrile?
The molecular weight of 2-(4-Chlorophenyl)-3-(3-nitrophenyl)prop-2-enenitrile is 284.04 g/mol.
Where can I buy 2-(4-Chlorophenyl)-3-(3-nitrophenyl)prop-2-enenitrile?
You can request a quote for 2-(4-Chlorophenyl)-3-(3-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 2-(4-Chlorophenyl)-3-(3-nitrophenyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chlorophenyl)-3-(3-nitrophenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.