(E)-ethyl 2-(3-(2-cyano-3-morpholino-3-oxoprop-1-en-1-yl)-1H-indol-1-yl)acetate
TL;DR: (E)-ethyl 2-(3-(2-cyano-3-morpholino-3-oxoprop-1-en-1-yl)-1H-indol-1-yl)acetate (CAS 877787-52-5) is a chemical compound with molecular formula C20H21N3O4 and molecular weight 367.15 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-morpholin-4-yl-3-oxoprop-1-enyl]indol-1-yl]acetate
Also Known As: (E)-ethyl 2-(3-(2-cyano-3-morpholino-3-oxoprop-1-en-1-yl)-1H-indol-1-yl)acetate, [3-((E)-2-Cyano-3-morpholin-4-yl-3-oxo-propenyl)-indol-1-yl]-acetic acid ethyl ester, ethyl {3-[(1E)-2-cyano-3-(morpholin-4-yl)-3-oxoprop-1-en-1-yl]-1H-indol-1-yl}acetate, Ethyl 2-[3-(2-cyano-3-morpholin-4-yl-3-oxo-prop-1-enyl)indol-1-yl]acetate, ethyl 2-[3-[(E)-2-cyano-3-morpholin-4-yl-3-oxoprop-1-enyl]indol-1-yl]acetate
| Molecular Formula | C20H21N3O4 |
|---|---|
| Molecular Weight | 367.15 g/mol |
| LogP | 1.97018 |
| Topological Polar Surface Area | 84.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 367.1532 |
| Heavy Atoms | 27 |
| Complexity | 916.94 |
Chemical Identifiers
| CAS Number | 877787-52-5 |
|---|---|
| SMILES | CCOC(=O)CN1C=C(C2=CC=CC=C21)/C=C(\C#N)/C(=O)N3CCOCC3 |
Product Overview
(E)-ethyl 2-(3-(2-cyano-3-morpholino-3-oxoprop-1-en-1-yl)-1H-indol-1-yl)acetate (CAS 877787-52-5), with molecular formula C20H21N3O4 and molecular weight 367.15 g/mol. IUPAC: ethyl 2-[3-[(E)-2-cyano-3-morpholin-4-yl-3-oxoprop-1-enyl]indol-1-yl]acetate.
Chemical Property Profile of (E)-ethyl 2-(3-(2-cyano-3-morpholino-3-oxoprop-1-en-1-yl)-1H-indol-1-yl)acetate
Property Insights of (E)-ethyl 2-(3-(2-cyano-3-morpholino-3-oxoprop-1-en-1-yl)-1H-indol-1-yl)acetate
The XLogP value of 1.97018 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-ethyl 2-(3-(2-cyano-3-morpholino-3-oxoprop-1-en-1-yl)-1H-indol-1-yl)acetate. The TPSA of 84.56 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-ethyl 2-(3-(2-cyano-3-morpholino-3-oxoprop-1-en-1-yl)-1H-indol-1-yl)acetate. Following Lipinski's Rule of Five, (E)-ethyl 2-(3-(2-cyano-3-morpholino-3-oxoprop-1-en-1-yl)-1H-indol-1-yl)acetate 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 (E)-ethyl 2-(3-(2-cyano-3-morpholino-3-oxoprop-1-en-1-yl)-1H-indol-1-yl)acetate?
The CAS number of (E)-ethyl 2-(3-(2-cyano-3-morpholino-3-oxoprop-1-en-1-yl)-1H-indol-1-yl)acetate is 877787-52-5.
What is the molecular formula of (E)-ethyl 2-(3-(2-cyano-3-morpholino-3-oxoprop-1-en-1-yl)-1H-indol-1-yl)acetate?
The molecular formula of (E)-ethyl 2-(3-(2-cyano-3-morpholino-3-oxoprop-1-en-1-yl)-1H-indol-1-yl)acetate is C20H21N3O4.
What is the molecular weight of (E)-ethyl 2-(3-(2-cyano-3-morpholino-3-oxoprop-1-en-1-yl)-1H-indol-1-yl)acetate?
The molecular weight of (E)-ethyl 2-(3-(2-cyano-3-morpholino-3-oxoprop-1-en-1-yl)-1H-indol-1-yl)acetate is 367.15 g/mol.
Where can I buy (E)-ethyl 2-(3-(2-cyano-3-morpholino-3-oxoprop-1-en-1-yl)-1H-indol-1-yl)acetate?
You can request a quote for (E)-ethyl 2-(3-(2-cyano-3-morpholino-3-oxoprop-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 (E)-ethyl 2-(3-(2-cyano-3-morpholino-3-oxoprop-1-en-1-yl)-1H-indol-1-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 2-(3-(2-cyano-3-morpholino-3-oxoprop-1-en-1-yl)-1H-indol-1-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.