Ethyl 3-cyano-2-oxo-3-(4-propoxyphenyl)propanoate
TL;DR: Ethyl 3-cyano-2-oxo-3-(4-propoxyphenyl)propanoate (CAS 57445-63-3) is a chemical compound with molecular formula C15H17NO4 and molecular weight 275.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-cyano-2-oxo-3-(4-propoxyphenyl)propanoate
Also Known As: ethyl 3-cyano-2-oxo-3-(4-propoxyphenyl)propanoate, b-cyano-a-oxo-4-propoxy-benzenepropanoic acid ethyl ester
| Molecular Formula | C15H17NO4 |
|---|---|
| Molecular Weight | 275.12 g/mol |
| LogP | 2.21478 |
| Topological Polar Surface Area | 76.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 275.11575 |
| Heavy Atoms | 20 |
| Complexity | 501.59995 |
Chemical Identifiers
| CAS Number | 57445-63-3 |
|---|---|
| SMILES | CCCOC1=CC=C(C=C1)C(C#N)C(=O)C(=O)OCC |
Product Overview
Ethyl 3-cyano-2-oxo-3-(4-propoxyphenyl)propanoate (CAS 57445-63-3), with molecular formula C15H17NO4 and molecular weight 275.12 g/mol. IUPAC: ethyl 3-cyano-2-oxo-3-(4-propoxyphenyl)propanoate.
Chemical Property Profile of Ethyl 3-cyano-2-oxo-3-(4-propoxyphenyl)propanoate
Property Insights of Ethyl 3-cyano-2-oxo-3-(4-propoxyphenyl)propanoate
The XLogP value of 2.21478 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-cyano-2-oxo-3-(4-propoxyphenyl)propanoate. The TPSA of 76.39 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-cyano-2-oxo-3-(4-propoxyphenyl)propanoate. Following Lipinski's Rule of Five, Ethyl 3-cyano-2-oxo-3-(4-propoxyphenyl)propanoate 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
Frequently Asked Questions
What is the CAS number of Ethyl 3-cyano-2-oxo-3-(4-propoxyphenyl)propanoate?
The CAS number of Ethyl 3-cyano-2-oxo-3-(4-propoxyphenyl)propanoate is 57445-63-3.
What is the molecular formula of Ethyl 3-cyano-2-oxo-3-(4-propoxyphenyl)propanoate?
The molecular formula of Ethyl 3-cyano-2-oxo-3-(4-propoxyphenyl)propanoate is C15H17NO4.
What is the molecular weight of Ethyl 3-cyano-2-oxo-3-(4-propoxyphenyl)propanoate?
The molecular weight of Ethyl 3-cyano-2-oxo-3-(4-propoxyphenyl)propanoate is 275.12 g/mol.
Where can I buy Ethyl 3-cyano-2-oxo-3-(4-propoxyphenyl)propanoate?
You can request a quote for Ethyl 3-cyano-2-oxo-3-(4-propoxyphenyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-cyano-2-oxo-3-(4-propoxyphenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-cyano-2-oxo-3-(4-propoxyphenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.