Methyl 2-(4-cyanophenoxy)propanoate
TL;DR: Methyl 2-(4-cyanophenoxy)propanoate (CAS 165525-18-8) is a chemical compound with molecular formula C11H11NO3 and molecular weight 205.0739 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-(4-cyanophenoxy)propanoate
Also Known As: methyl 2-(4-cyanophenoxy)propanoate, methyl2-(4-cyanophenoxy)propanoate
Technical Specifications
| Molecular Formula | C11H11NO3 |
| Molecular Weight | 205.0739 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 205.0739 Da |
| Heavy Atoms | 15 |
| Complexity | 260.0 |
| SMILES | CC(C(=O)OC)OC1=CC=C(C=C1)C#N |
| InChIKey | VWCTYMCBZOOONL-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 2-(4-cyanophenoxy)propanoate
Property Insights of Methyl 2-(4-cyanophenoxy)propanoate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(4-cyanophenoxy)propanoate. With a topological polar surface area (TPSA) of 59.3 Ų, Methyl 2-(4-cyanophenoxy)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(4-cyanophenoxy)propanoate has 0 hydrogen bond donor(s) and 4 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 2-(4-cyanophenoxy)propanoate?
The CAS number of Methyl 2-(4-cyanophenoxy)propanoate is 165525-18-8.
What is the molecular formula of Methyl 2-(4-cyanophenoxy)propanoate?
The molecular formula of Methyl 2-(4-cyanophenoxy)propanoate is C11H11NO3.
What is the molecular weight of Methyl 2-(4-cyanophenoxy)propanoate?
The molecular weight of Methyl 2-(4-cyanophenoxy)propanoate is 205.0739 g/mol.
Where can I buy Methyl 2-(4-cyanophenoxy)propanoate?
You can request a quote for Methyl 2-(4-cyanophenoxy)propanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 2-(4-cyanophenoxy)propanoate?
Yes, CoreyChem provides custom synthesis services for Methyl 2-(4-cyanophenoxy)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.