![ethyl {3-[(1E)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-1H-indol-1-yl}acetate structure](/static/products/866/866601-49-2.png)
ethyl {3-[(1E)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-1H-indol-1-yl}acetate
TL;DR: ethyl {3-[(1E)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-1H-indol-1-yl}acetate (CAS 866601-49-2) is a chemical compound with molecular formula C22H19N3O3 and molecular weight 373.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3-[(E)-3-anilino-2-cyano-3-oxoprop-1-enyl]indol-1-yl]acetate
Also Known As: ethyl {3-[(1E)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-1H-indol-1-yl}acetate, ethyl 2-[3-[(E)-3-anilino-2-cyano-3-oxoprop-1-enyl]indol-1-yl]acetate, (E)-ethyl 2-(3-(2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl)-1H-indol-1-yl)acetate
| Molecular Formula | C22H19N3O3 |
|---|---|
| Molecular Weight | 373.14 g/mol |
| LogP | 3.75008 |
| Topological Polar Surface Area | 84.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 373.14264 |
| Heavy Atoms | 28 |
| Complexity | 1075.3501 |
Chemical Identifiers
| CAS Number | 866601-49-2 |
|---|---|
| SMILES | CCOC(=O)CN1C=C(C2=CC=CC=C21)/C=C(\C#N)/C(=O)NC3=CC=CC=C3 |
Product Overview
ethyl {3-[(1E)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-1H-indol-1-yl}acetate (CAS 866601-49-2), with molecular formula C22H19N3O3 and molecular weight 373.14 g/mol. IUPAC: ethyl 2-[3-[(E)-3-anilino-2-cyano-3-oxoprop-1-enyl]indol-1-yl]acetate.
Chemical Property Profile of ethyl {3-[(1E)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-1H-indol-1-yl}acetate
Property Insights of ethyl {3-[(1E)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-1H-indol-1-yl}acetate
The XLogP value of 3.75008 indicates that ethyl {3-[(1E)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-1H-indol-1-yl}acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.12 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl {3-[(1E)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-1H-indol-1-yl}acetate. Following Lipinski's Rule of Five, ethyl {3-[(1E)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-1H-indol-1-yl}acetate has 1 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 {3-[(1E)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-1H-indol-1-yl}acetate?
The CAS number of ethyl {3-[(1E)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-1H-indol-1-yl}acetate is 866601-49-2.
What is the molecular formula of ethyl {3-[(1E)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-1H-indol-1-yl}acetate?
The molecular formula of ethyl {3-[(1E)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-1H-indol-1-yl}acetate is C22H19N3O3.
What is the molecular weight of ethyl {3-[(1E)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-1H-indol-1-yl}acetate?
The molecular weight of ethyl {3-[(1E)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-1H-indol-1-yl}acetate is 373.14 g/mol.
Where can I buy ethyl {3-[(1E)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-1H-indol-1-yl}acetate?
You can request a quote for ethyl {3-[(1E)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-1H-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 {3-[(1E)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-1H-indol-1-yl}acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl {3-[(1E)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-1H-indol-1-yl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.