Ethyl 2-(4-cyanophenoxy)propanoate
TL;DR: Ethyl 2-(4-cyanophenoxy)propanoate (CAS 49786-89-2) is a chemical compound with molecular formula C12H13NO3 and molecular weight 219.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-cyanophenoxy)propanoate
Also Known As: Ethyl 2-(4-cyanophenoxy)propanoate, Propanoic acid, 2-(4-cyanophenoxy)-, ethyl ester, RefChem:1084769, BRN 2587795
| Molecular Formula | C12H13NO3 |
|---|---|
| Molecular Weight | 219.09 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 219.08954 |
| Heavy Atoms | 16 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 49786-89-2 |
|---|---|
| SMILES | CCOC(=O)C(C)OC1=CC=C(C=C1)C#N |
| InChIKey | RWXRNKHVAIGPSA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-(4-cyanophenoxy)propanoate (CAS 49786-89-2), with molecular formula C12H13NO3 and molecular weight 219.09 g/mol. IUPAC: ethyl 2-(4-cyanophenoxy)propanoate.
Chemical Property Profile of Ethyl 2-(4-cyanophenoxy)propanoate
Property Insights of Ethyl 2-(4-cyanophenoxy)propanoate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(4-cyanophenoxy)propanoate. With a topological polar surface area (TPSA) of 59.3 Ų, Ethyl 2-(4-cyanophenoxy)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 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
Frequently Asked Questions
What is the CAS number of Ethyl 2-(4-cyanophenoxy)propanoate?
The CAS number of Ethyl 2-(4-cyanophenoxy)propanoate is 49786-89-2.
What is the molecular formula of Ethyl 2-(4-cyanophenoxy)propanoate?
The molecular formula of Ethyl 2-(4-cyanophenoxy)propanoate is C12H13NO3.
What is the molecular weight of Ethyl 2-(4-cyanophenoxy)propanoate?
The molecular weight of Ethyl 2-(4-cyanophenoxy)propanoate is 219.09 g/mol.
Where can I buy Ethyl 2-(4-cyanophenoxy)propanoate?
You can request a quote for Ethyl 2-(4-cyanophenoxy)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(4-cyanophenoxy)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(4-cyanophenoxy)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.