![ethyl 2-cyano-2-[3-(1-cyano-2-ethoxy-2-oxoethyl)-2-oxo-1H-indol-3-yl]acetate structure](/static/products/1400/14003-17-9.webp)
ethyl 2-cyano-2-[3-(1-cyano-2-ethoxy-2-oxoethyl)-2-oxo-1H-indol-3-yl]acetate
TL;DR: ethyl 2-cyano-2-[3-(1-cyano-2-ethoxy-2-oxoethyl)-2-oxo-1H-indol-3-yl]acetate (CAS 14003-17-9) is a chemical compound with molecular formula C18H17N3O5 and molecular weight 355.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-2-[3-(1-cyano-2-ethoxy-2-oxoethyl)-2-oxo-1H-indol-3-yl]acetate
Also Known As: ethyl 2-cyano-2-[3-(1-cyano-2-ethoxy-2-oxoethyl)-2-oxo-1H-indol-3-yl]acetate, ethyl 2-cyano-2-[3-(cyano-ethoxycarbonyl-methyl)-2-oxo-1H-indol-3-yl]a cetate, Diethyl 2,2'-(2-oxo-2,3-dihydro-1H-indole-3,3-diyl)bis(cyanoacetate), 3H-Indole-3,3-diaceticacid, a3,a3-dicyano-1,2-dihydro-2-oxo-, 3,3-diethyl ester
| Molecular Formula | C18H17N3O5 |
|---|---|
| Molecular Weight | 355.12 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 355.11682 |
| Heavy Atoms | 26 |
| Complexity | 647.0 |
Chemical Identifiers
| CAS Number | 14003-17-9 |
|---|---|
| SMILES | CCOC(=O)C(C#N)C1(C2=CC=CC=C2NC1=O)C(C#N)C(=O)OCC |
| InChIKey | XIXQWNIRYBMCLK-UHFFFAOYSA-N |
Product Overview
ethyl 2-cyano-2-[3-(1-cyano-2-ethoxy-2-oxoethyl)-2-oxo-1H-indol-3-yl]acetate (CAS 14003-17-9), with molecular formula C18H17N3O5 and molecular weight 355.12 g/mol. IUPAC: ethyl 2-cyano-2-[3-(1-cyano-2-ethoxy-2-oxoethyl)-2-oxo-1H-indol-3-yl]acetate.
Chemical Property Profile of ethyl 2-cyano-2-[3-(1-cyano-2-ethoxy-2-oxoethyl)-2-oxo-1H-indol-3-yl]acetate
Property Insights of ethyl 2-cyano-2-[3-(1-cyano-2-ethoxy-2-oxoethyl)-2-oxo-1H-indol-3-yl]acetate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-cyano-2-[3-(1-cyano-2-ethoxy-2-oxoethyl)-2-oxo-1H-indol-3-yl]acetate. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-cyano-2-[3-(1-cyano-2-ethoxy-2-oxoethyl)-2-oxo-1H-indol-3-yl]acetate. Following Lipinski's Rule of Five, ethyl 2-cyano-2-[3-(1-cyano-2-ethoxy-2-oxoethyl)-2-oxo-1H-indol-3-yl]acetate has 1 hydrogen bond donor(s) and 7 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-2-[3-(1-cyano-2-ethoxy-2-oxoethyl)-2-oxo-1H-indol-3-yl]acetate?
The CAS number of ethyl 2-cyano-2-[3-(1-cyano-2-ethoxy-2-oxoethyl)-2-oxo-1H-indol-3-yl]acetate is 14003-17-9.
What is the molecular formula of ethyl 2-cyano-2-[3-(1-cyano-2-ethoxy-2-oxoethyl)-2-oxo-1H-indol-3-yl]acetate?
The molecular formula of ethyl 2-cyano-2-[3-(1-cyano-2-ethoxy-2-oxoethyl)-2-oxo-1H-indol-3-yl]acetate is C18H17N3O5.
What is the molecular weight of ethyl 2-cyano-2-[3-(1-cyano-2-ethoxy-2-oxoethyl)-2-oxo-1H-indol-3-yl]acetate?
The molecular weight of ethyl 2-cyano-2-[3-(1-cyano-2-ethoxy-2-oxoethyl)-2-oxo-1H-indol-3-yl]acetate is 355.12 g/mol.
Where can I buy ethyl 2-cyano-2-[3-(1-cyano-2-ethoxy-2-oxoethyl)-2-oxo-1H-indol-3-yl]acetate?
You can request a quote for ethyl 2-cyano-2-[3-(1-cyano-2-ethoxy-2-oxoethyl)-2-oxo-1H-indol-3-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-cyano-2-[3-(1-cyano-2-ethoxy-2-oxoethyl)-2-oxo-1H-indol-3-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-cyano-2-[3-(1-cyano-2-ethoxy-2-oxoethyl)-2-oxo-1H-indol-3-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.