(4-Cyanophenyl)methyl 2-(4-formylphenoxy)acetate
TL;DR: (4-Cyanophenyl)methyl 2-(4-formylphenoxy)acetate (CAS 1111493-27-6) is a chemical compound with molecular formula C17H13NO4 and molecular weight 295.08447 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-cyanophenyl)methyl 2-(4-formylphenoxy)acetate
Also Known As: (4-cyanophenyl)methyl 2-(4-formylphenoxy)acetate
Technical Specifications
| Molecular Formula | C17H13NO4 |
| Molecular Weight | 295.08447 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 76.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 295.08447 Da |
| Heavy Atoms | 22 |
| Complexity | 412.0 |
| SMILES | C1=CC(=CC=C1COC(=O)COC2=CC=C(C=C2)C=O)C#N |
| InChIKey | IMFDJHNHVLGCIK-UHFFFAOYSA-N |
Chemical Property Profile of (4-Cyanophenyl)methyl 2-(4-formylphenoxy)acetate
Property Insights of (4-Cyanophenyl)methyl 2-(4-formylphenoxy)acetate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Cyanophenyl)methyl 2-(4-formylphenoxy)acetate. The TPSA of 76.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Cyanophenyl)methyl 2-(4-formylphenoxy)acetate. Following Lipinski's Rule of Five, (4-Cyanophenyl)methyl 2-(4-formylphenoxy)acetate 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 (4-Cyanophenyl)methyl 2-(4-formylphenoxy)acetate?
The CAS number of (4-Cyanophenyl)methyl 2-(4-formylphenoxy)acetate is 1111493-27-6.
What is the molecular formula of (4-Cyanophenyl)methyl 2-(4-formylphenoxy)acetate?
The molecular formula of (4-Cyanophenyl)methyl 2-(4-formylphenoxy)acetate is C17H13NO4.
What is the molecular weight of (4-Cyanophenyl)methyl 2-(4-formylphenoxy)acetate?
The molecular weight of (4-Cyanophenyl)methyl 2-(4-formylphenoxy)acetate is 295.08447 g/mol.
Where can I buy (4-Cyanophenyl)methyl 2-(4-formylphenoxy)acetate?
You can request a quote for (4-Cyanophenyl)methyl 2-(4-formylphenoxy)acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (4-Cyanophenyl)methyl 2-(4-formylphenoxy)acetate?
Yes, CoreyChem provides custom synthesis services for (4-Cyanophenyl)methyl 2-(4-formylphenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.