![Methyl 4-[[4-(2,2-dicyanoethenyl)phenoxy]methyl]benzoate structure](/static/products/124/124663-31-6.webp)
Methyl 4-[[4-(2,2-dicyanoethenyl)phenoxy]methyl]benzoate
TL;DR: Methyl 4-[[4-(2,2-dicyanoethenyl)phenoxy]methyl]benzoate (CAS 124663-31-6) is a chemical compound with molecular formula C19H14N2O3 and molecular weight 318.10043 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-[[4-(2,2-dicyanoethenyl)phenoxy]methyl]benzoate
Also Known As: methyl 4-[[4-(2,2-dicyanoethenyl)phenoxy]methyl]benzoate, Methyl 4-{[4-(2,2-dicyanoethenyl)phenoxy]methyl}benzoate
Technical Specifications
| Molecular Formula | C19H14N2O3 |
| Molecular Weight | 318.10043 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 83.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 318.10043 Da |
| Heavy Atoms | 24 |
| Complexity | 532.0 |
| SMILES | COC(=O)C1=CC=C(C=C1)COC2=CC=C(C=C2)C=C(C#N)C#N |
| InChIKey | YJKGLWIKYIWFDU-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 4-[[4-(2,2-dicyanoethenyl)phenoxy]methyl]benzoate
Property Insights of Methyl 4-[[4-(2,2-dicyanoethenyl)phenoxy]methyl]benzoate
The XLogP value of 3.3 indicates that Methyl 4-[[4-(2,2-dicyanoethenyl)phenoxy]methyl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[[4-(2,2-dicyanoethenyl)phenoxy]methyl]benzoate. Following Lipinski's Rule of Five, Methyl 4-[[4-(2,2-dicyanoethenyl)phenoxy]methyl]benzoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 4-[[4-(2,2-dicyanoethenyl)phenoxy]methyl]benzoate?
The CAS number of Methyl 4-[[4-(2,2-dicyanoethenyl)phenoxy]methyl]benzoate is 124663-31-6.
What is the molecular formula of Methyl 4-[[4-(2,2-dicyanoethenyl)phenoxy]methyl]benzoate?
The molecular formula of Methyl 4-[[4-(2,2-dicyanoethenyl)phenoxy]methyl]benzoate is C19H14N2O3.
What is the molecular weight of Methyl 4-[[4-(2,2-dicyanoethenyl)phenoxy]methyl]benzoate?
The molecular weight of Methyl 4-[[4-(2,2-dicyanoethenyl)phenoxy]methyl]benzoate is 318.10043 g/mol.
Where can I buy Methyl 4-[[4-(2,2-dicyanoethenyl)phenoxy]methyl]benzoate?
You can request a quote for Methyl 4-[[4-(2,2-dicyanoethenyl)phenoxy]methyl]benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 4-[[4-(2,2-dicyanoethenyl)phenoxy]methyl]benzoate?
Yes, CoreyChem provides custom synthesis services for Methyl 4-[[4-(2,2-dicyanoethenyl)phenoxy]methyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.