![Ethyl 2-[3-[2-cyano-3-oxo-3-(1-piperidyl)prop-1-enyl]indol-1-yl]acetate structure](/static/products/850/850159-84-1.png)
Ethyl 2-[3-[2-cyano-3-oxo-3-(1-piperidyl)prop-1-enyl]indol-1-yl]acetate
TL;DR: Ethyl 2-[3-[2-cyano-3-oxo-3-(1-piperidyl)prop-1-enyl]indol-1-yl]acetate (CAS 850159-84-1) is a chemical compound with molecular formula C21H23N3O3 and molecular weight 365.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3-[(E)-2-cyano-3-oxo-3-piperidin-1-ylprop-1-enyl]indol-1-yl]acetate
Also Known As: Ethyl 2-[3-[2-cyano-3-oxo-3-(1-piperidyl)prop-1-enyl]indol-1-yl]acetate, (E)-ethyl 2-(3-(2-cyano-3-oxo-3-(piperidin-1-yl)prop-1-en-1-yl)-1H-indol-1-yl)acetate, ethyl {3-[(1E)-2-cyano-3-oxo-3-(piperidin-1-yl)prop-1-en-1-yl]-1H-indol-1-yl}acetate, ethyl 2-[3-[(E)-2-cyano-3-oxo-3-piperidin-1-ylprop-1-enyl]indol-1-yl]acetate
| Molecular Formula | C21H23N3O3 |
|---|---|
| Molecular Weight | 365.17 g/mol |
| LogP | 3.12388 |
| Topological Polar Surface Area | 75.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 365.17395 |
| Heavy Atoms | 27 |
| Complexity | 914.385 |
Chemical Identifiers
| CAS Number | 850159-84-1 |
|---|---|
| SMILES | CCOC(=O)CN1C=C(C2=CC=CC=C21)/C=C(\C#N)/C(=O)N3CCCCC3 |
Product Overview
Ethyl 2-[3-[2-cyano-3-oxo-3-(1-piperidyl)prop-1-enyl]indol-1-yl]acetate (CAS 850159-84-1), with molecular formula C21H23N3O3 and molecular weight 365.17 g/mol. IUPAC: ethyl 2-[3-[(E)-2-cyano-3-oxo-3-piperidin-1-ylprop-1-enyl]indol-1-yl]acetate.
Chemical Property Profile of Ethyl 2-[3-[2-cyano-3-oxo-3-(1-piperidyl)prop-1-enyl]indol-1-yl]acetate
Property Insights of Ethyl 2-[3-[2-cyano-3-oxo-3-(1-piperidyl)prop-1-enyl]indol-1-yl]acetate
The XLogP value of 3.12388 indicates that Ethyl 2-[3-[2-cyano-3-oxo-3-(1-piperidyl)prop-1-enyl]indol-1-yl]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.33 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[3-[2-cyano-3-oxo-3-(1-piperidyl)prop-1-enyl]indol-1-yl]acetate. Following Lipinski's Rule of Five, Ethyl 2-[3-[2-cyano-3-oxo-3-(1-piperidyl)prop-1-enyl]indol-1-yl]acetate 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-[3-[2-cyano-3-oxo-3-(1-piperidyl)prop-1-enyl]indol-1-yl]acetate?
The CAS number of Ethyl 2-[3-[2-cyano-3-oxo-3-(1-piperidyl)prop-1-enyl]indol-1-yl]acetate is 850159-84-1.
What is the molecular formula of Ethyl 2-[3-[2-cyano-3-oxo-3-(1-piperidyl)prop-1-enyl]indol-1-yl]acetate?
The molecular formula of Ethyl 2-[3-[2-cyano-3-oxo-3-(1-piperidyl)prop-1-enyl]indol-1-yl]acetate is C21H23N3O3.
What is the molecular weight of Ethyl 2-[3-[2-cyano-3-oxo-3-(1-piperidyl)prop-1-enyl]indol-1-yl]acetate?
The molecular weight of Ethyl 2-[3-[2-cyano-3-oxo-3-(1-piperidyl)prop-1-enyl]indol-1-yl]acetate is 365.17 g/mol.
Where can I buy Ethyl 2-[3-[2-cyano-3-oxo-3-(1-piperidyl)prop-1-enyl]indol-1-yl]acetate?
You can request a quote for Ethyl 2-[3-[2-cyano-3-oxo-3-(1-piperidyl)prop-1-enyl]indol-1-yl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-[3-[2-cyano-3-oxo-3-(1-piperidyl)prop-1-enyl]indol-1-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[3-[2-cyano-3-oxo-3-(1-piperidyl)prop-1-enyl]indol-1-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.