Ethyl 2-(4-cyanophenyl)propanoate
TL;DR: Ethyl 2-(4-cyanophenyl)propanoate (CAS 118618-32-9) is a chemical compound with molecular formula C12H13NO2 and molecular weight 203.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-cyanophenyl)propanoate
Also Known As: Ethyl 2-(4-cyanophenyl)propanoate, Ethyl2-(4-cyanophenyl)propanoate, ethyl 2-(p-cyano-phenyl)-propionate, ETHYL 2-(4-CYANOPHENYL)PROPIONATE
| Molecular Formula | C12H13NO2 |
|---|---|
| Molecular Weight | 203.09 g/mol |
| LogP | 2.22488 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 203.09464 |
| Heavy Atoms | 15 |
| Complexity | 375.60376 |
Chemical Identifiers
| CAS Number | 118618-32-9 |
|---|---|
| SMILES | CCOC(=O)C(C)C1=CC=C(C=C1)C#N |
Product Overview
Ethyl 2-(4-cyanophenyl)propanoate (CAS 118618-32-9), with molecular formula C12H13NO2 and molecular weight 203.09 g/mol. IUPAC: ethyl 2-(4-cyanophenyl)propanoate.
Chemical Property Profile of Ethyl 2-(4-cyanophenyl)propanoate
Property Insights of Ethyl 2-(4-cyanophenyl)propanoate
The XLogP value of 2.22488 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(4-cyanophenyl)propanoate. With a topological polar surface area (TPSA) of 50.09 Ų, Ethyl 2-(4-cyanophenyl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(4-cyanophenyl)propanoate 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
Frequently Asked Questions
What is the CAS number of Ethyl 2-(4-cyanophenyl)propanoate?
The CAS number of Ethyl 2-(4-cyanophenyl)propanoate is 118618-32-9.
What is the molecular formula of Ethyl 2-(4-cyanophenyl)propanoate?
The molecular formula of Ethyl 2-(4-cyanophenyl)propanoate is C12H13NO2.
What is the molecular weight of Ethyl 2-(4-cyanophenyl)propanoate?
The molecular weight of Ethyl 2-(4-cyanophenyl)propanoate is 203.09 g/mol.
Where can I buy Ethyl 2-(4-cyanophenyl)propanoate?
You can request a quote for Ethyl 2-(4-cyanophenyl)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-cyanophenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(4-cyanophenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.