ethyl 2-cyano-3-(2-ethoxy-1-ethyl-1H-indol-3-yl)acrylate
TL;DR: ethyl 2-cyano-3-(2-ethoxy-1-ethyl-1H-indol-3-yl)acrylate (CAS 1164535-09-4) is a chemical compound with molecular formula C18H20N2O3 and molecular weight 312.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-2-cyano-3-(2-ethoxy-1-ethylindol-3-yl)prop-2-enoate
Also Known As: BIM-0020231.P001, ethyl 2-cyano-3-(2-ethoxy-1-ethyl-1H-indol-3-yl)acrylate, AB00085918-01, AH-262/02645013, AH-262/34642023
| Molecular Formula | C18H20N2O3 |
|---|---|
| Molecular Weight | 312.15 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 312.1474 |
| Heavy Atoms | 23 |
| Complexity | 494.0 |
Chemical Identifiers
| CAS Number | 1164535-09-4 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2C(=C1OCC)/C=C(\C#N)/C(=O)OCC |
| InChIKey | OHGSVGPEOIZQDE-ACCUITESSA-N |
Product Overview
ethyl 2-cyano-3-(2-ethoxy-1-ethyl-1H-indol-3-yl)acrylate (CAS 1164535-09-4), with molecular formula C18H20N2O3 and molecular weight 312.15 g/mol. IUPAC: ethyl (E)-2-cyano-3-(2-ethoxy-1-ethylindol-3-yl)prop-2-enoate.
Chemical Property Profile of ethyl 2-cyano-3-(2-ethoxy-1-ethyl-1H-indol-3-yl)acrylate
Property Insights of ethyl 2-cyano-3-(2-ethoxy-1-ethyl-1H-indol-3-yl)acrylate
The XLogP value of 3.5 indicates that ethyl 2-cyano-3-(2-ethoxy-1-ethyl-1H-indol-3-yl)acrylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-cyano-3-(2-ethoxy-1-ethyl-1H-indol-3-yl)acrylate. Following Lipinski's Rule of Five, ethyl 2-cyano-3-(2-ethoxy-1-ethyl-1H-indol-3-yl)acrylate 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-cyano-3-(2-ethoxy-1-ethyl-1H-indol-3-yl)acrylate?
The CAS number of ethyl 2-cyano-3-(2-ethoxy-1-ethyl-1H-indol-3-yl)acrylate is 1164535-09-4.
What is the molecular formula of ethyl 2-cyano-3-(2-ethoxy-1-ethyl-1H-indol-3-yl)acrylate?
The molecular formula of ethyl 2-cyano-3-(2-ethoxy-1-ethyl-1H-indol-3-yl)acrylate is C18H20N2O3.
What is the molecular weight of ethyl 2-cyano-3-(2-ethoxy-1-ethyl-1H-indol-3-yl)acrylate?
The molecular weight of ethyl 2-cyano-3-(2-ethoxy-1-ethyl-1H-indol-3-yl)acrylate is 312.15 g/mol.
Where can I buy ethyl 2-cyano-3-(2-ethoxy-1-ethyl-1H-indol-3-yl)acrylate?
You can request a quote for ethyl 2-cyano-3-(2-ethoxy-1-ethyl-1H-indol-3-yl)acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-cyano-3-(2-ethoxy-1-ethyl-1H-indol-3-yl)acrylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-cyano-3-(2-ethoxy-1-ethyl-1H-indol-3-yl)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.