Ethyl 3-cyano-3-(4-isopropoxyphenyl)-2-oxopropanoate
TL;DR: Ethyl 3-cyano-3-(4-isopropoxyphenyl)-2-oxopropanoate (CAS 57445-64-4) 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-propan-2-yloxyphenyl)propanoate
Also Known As: ETHYL 3-CYANO-3-(4-ISOPROPOXYPHENYL)-2-OXOPROPANOATE, ethyl 3-cyano-2-oxo-3-(4-propan-2-yloxyphenyl)propanoate, ethyl 3-cyano-2-oxo-3-[4-(propan-2-yloxy)phenyl]propanoate
| Molecular Formula | C15H17NO4 |
|---|---|
| Molecular Weight | 275.12 g/mol |
| LogP | 2.21318 |
| Topological Polar Surface Area | 76.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 275.11575 |
| Heavy Atoms | 20 |
| Complexity | 513.6702 |
Chemical Identifiers
| CAS Number | 57445-64-4 |
|---|---|
| SMILES | CCOC(=O)C(=O)C(C#N)C1=CC=C(C=C1)OC(C)C |
Product Overview
Ethyl 3-cyano-3-(4-isopropoxyphenyl)-2-oxopropanoate (CAS 57445-64-4), with molecular formula C15H17NO4 and molecular weight 275.12 g/mol. IUPAC: ethyl 3-cyano-2-oxo-3-(4-propan-2-yloxyphenyl)propanoate.
Chemical Property Profile of Ethyl 3-cyano-3-(4-isopropoxyphenyl)-2-oxopropanoate
Property Insights of Ethyl 3-cyano-3-(4-isopropoxyphenyl)-2-oxopropanoate
The XLogP value of 2.21318 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-cyano-3-(4-isopropoxyphenyl)-2-oxopropanoate. The TPSA of 76.39 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-cyano-3-(4-isopropoxyphenyl)-2-oxopropanoate. Following Lipinski's Rule of Five, Ethyl 3-cyano-3-(4-isopropoxyphenyl)-2-oxopropanoate 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-3-(4-isopropoxyphenyl)-2-oxopropanoate?
The CAS number of Ethyl 3-cyano-3-(4-isopropoxyphenyl)-2-oxopropanoate is 57445-64-4.
What is the molecular formula of Ethyl 3-cyano-3-(4-isopropoxyphenyl)-2-oxopropanoate?
The molecular formula of Ethyl 3-cyano-3-(4-isopropoxyphenyl)-2-oxopropanoate is C15H17NO4.
What is the molecular weight of Ethyl 3-cyano-3-(4-isopropoxyphenyl)-2-oxopropanoate?
The molecular weight of Ethyl 3-cyano-3-(4-isopropoxyphenyl)-2-oxopropanoate is 275.12 g/mol.
Where can I buy Ethyl 3-cyano-3-(4-isopropoxyphenyl)-2-oxopropanoate?
You can request a quote for Ethyl 3-cyano-3-(4-isopropoxyphenyl)-2-oxopropanoate 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-3-(4-isopropoxyphenyl)-2-oxopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-cyano-3-(4-isopropoxyphenyl)-2-oxopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.