2-(4-Methylphenyl)-5-(2-nitrophenyl)penta-2,4-dienenitrile
TL;DR: 2-(4-Methylphenyl)-5-(2-nitrophenyl)penta-2,4-dienenitrile (CAS 125369-76-8) is a chemical compound with molecular formula C18H14N2O2 and molecular weight 290.10553 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-methylphenyl)-5-(2-nitrophenyl)penta-2,4-dienenitrile
Also Known As: 5-(2-Nitrophenyl)-2-(4-methylphenyl)-2,4-pentadienenitrile, 2-(4-methylphenyl)-5-(2-nitrophenyl)penta-2,4-dienenitrile, Benzeneacetonitrile,4-methyl-a-[3-(2-nitrophenyl)-2-propen-1-ylidene]-
Technical Specifications
| Molecular Formula | C18H14N2O2 |
| Molecular Weight | 290.10553 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 69.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 290.10553 Da |
| Heavy Atoms | 22 |
| Complexity | 487.0 |
| SMILES | CC1=CC=C(C=C1)C(=CC=CC2=CC=CC=C2[N+](=O)[O-])C#N |
| InChIKey | UPYKHGUZZKOQBB-UHFFFAOYSA-N |
Chemical Property Profile of 2-(4-Methylphenyl)-5-(2-nitrophenyl)penta-2,4-dienenitrile
Property Insights of 2-(4-Methylphenyl)-5-(2-nitrophenyl)penta-2,4-dienenitrile
The XLogP value of 4.5 indicates that 2-(4-Methylphenyl)-5-(2-nitrophenyl)penta-2,4-dienenitrile 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-Methylphenyl)-5-(2-nitrophenyl)penta-2,4-dienenitrile. Following Lipinski's Rule of Five, 2-(4-Methylphenyl)-5-(2-nitrophenyl)penta-2,4-dienenitrile 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
What is the CAS number of 2-(4-Methylphenyl)-5-(2-nitrophenyl)penta-2,4-dienenitrile?
The CAS number of 2-(4-Methylphenyl)-5-(2-nitrophenyl)penta-2,4-dienenitrile is 125369-76-8.
What is the molecular formula of 2-(4-Methylphenyl)-5-(2-nitrophenyl)penta-2,4-dienenitrile?
The molecular formula of 2-(4-Methylphenyl)-5-(2-nitrophenyl)penta-2,4-dienenitrile is C18H14N2O2.
What is the molecular weight of 2-(4-Methylphenyl)-5-(2-nitrophenyl)penta-2,4-dienenitrile?
The molecular weight of 2-(4-Methylphenyl)-5-(2-nitrophenyl)penta-2,4-dienenitrile is 290.10553 g/mol.
Where can I buy 2-(4-Methylphenyl)-5-(2-nitrophenyl)penta-2,4-dienenitrile?
You can request a quote for 2-(4-Methylphenyl)-5-(2-nitrophenyl)penta-2,4-dienenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(4-Methylphenyl)-5-(2-nitrophenyl)penta-2,4-dienenitrile?
Yes, CoreyChem provides custom synthesis services for 2-(4-Methylphenyl)-5-(2-nitrophenyl)penta-2,4-dienenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.