![{4-[2-(4-Nitrophenoxy)ethoxy]benzylidene}propanedinitrile structure](/static/products/162/162462-56-8.webp)
{4-[2-(4-Nitrophenoxy)ethoxy]benzylidene}propanedinitrile
TL;DR: {4-[2-(4-Nitrophenoxy)ethoxy]benzylidene}propanedinitrile (CAS 162462-56-8) is a chemical compound with molecular formula C18H13N3O4 and molecular weight 335.0906 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[4-[2-(4-nitrophenoxy)ethoxy]phenyl]methylidene]propanedinitrile
Also Known As: {4-[2-(4-nitrophenoxy)ethoxy]benzylidene}propanedinitrile, 2-[[4-[2-(4-nitrophenoxy)ethoxy]phenyl]methylidene]propanedinitrile
Technical Specifications
| Molecular Formula | C18H13N3O4 |
| Molecular Weight | 335.0906 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 335.0906 Da |
| Heavy Atoms | 25 |
| Complexity | 546.0 |
| SMILES | C1=CC(=CC=C1C=C(C#N)C#N)OCCOC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | ZWWFQRUGBXOVHS-UHFFFAOYSA-N |
Chemical Property Profile of {4-[2-(4-Nitrophenoxy)ethoxy]benzylidene}propanedinitrile
Property Insights of {4-[2-(4-Nitrophenoxy)ethoxy]benzylidene}propanedinitrile
The XLogP value of 3.5 indicates that {4-[2-(4-Nitrophenoxy)ethoxy]benzylidene}propanedinitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for {4-[2-(4-Nitrophenoxy)ethoxy]benzylidene}propanedinitrile. Following Lipinski's Rule of Five, {4-[2-(4-Nitrophenoxy)ethoxy]benzylidene}propanedinitrile has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of {4-[2-(4-Nitrophenoxy)ethoxy]benzylidene}propanedinitrile?
The CAS number of {4-[2-(4-Nitrophenoxy)ethoxy]benzylidene}propanedinitrile is 162462-56-8.
What is the molecular formula of {4-[2-(4-Nitrophenoxy)ethoxy]benzylidene}propanedinitrile?
The molecular formula of {4-[2-(4-Nitrophenoxy)ethoxy]benzylidene}propanedinitrile is C18H13N3O4.
What is the molecular weight of {4-[2-(4-Nitrophenoxy)ethoxy]benzylidene}propanedinitrile?
The molecular weight of {4-[2-(4-Nitrophenoxy)ethoxy]benzylidene}propanedinitrile is 335.0906 g/mol.
Where can I buy {4-[2-(4-Nitrophenoxy)ethoxy]benzylidene}propanedinitrile?
You can request a quote for {4-[2-(4-Nitrophenoxy)ethoxy]benzylidene}propanedinitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for {4-[2-(4-Nitrophenoxy)ethoxy]benzylidene}propanedinitrile?
Yes, CoreyChem provides custom synthesis services for {4-[2-(4-Nitrophenoxy)ethoxy]benzylidene}propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.