![methyl {3-[(1E)-2-cyano-3-{[2-(1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-1-yl]-1H-indol-1-yl}acetate structure](/static/products/6389/638992-77-5.webp)
methyl {3-[(1E)-2-cyano-3-{[2-(1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-1-yl]-1H-indol-1-yl}acetate
TL;DR: methyl {3-[(1E)-2-cyano-3-{[2-(1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-1-yl]-1H-indol-1-yl}acetate (CAS 638992-77-5) is a chemical compound with molecular formula C25H22N4O3 and molecular weight 426.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3-[(E)-2-cyano-3-[2-(1H-indol-3-yl)ethylamino]-3-oxoprop-1-enyl]indol-1-yl]acetate
Also Known As: methyl {3-[(1E)-2-cyano-3-{[2-(1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-1-yl]-1H-indol-1-yl}acetate, methyl 2-[3-[(E)-2-cyano-3-[2-(1H-indol-3-yl)ethylamino]-3-oxoprop-1-enyl]indol-1-yl]acetate, Methyl 2-[3-[2-cyano-2-[2-(1H-indol-3-yl)ethylcarbamoyl]ethenyl]indol-1-yl]acetate, methyl 2-[3-(2-cyano-2-{[2-(1H-indol-3-yl)ethyl]carbamoyl}eth-1-en-1-yl)-1H-indol-1-yl]acetate
| Molecular Formula | C25H22N4O3 |
|---|---|
| Molecular Weight | 426.17 g/mol |
| LogP | 3.56148 |
| Topological Polar Surface Area | 99.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 426.1692 |
| Heavy Atoms | 32 |
| Complexity | 1370.8656 |
Chemical Identifiers
| CAS Number | 638992-77-5 |
|---|---|
| SMILES | COC(=O)CN1C=C(C2=CC=CC=C21)/C=C(\C#N)/C(=O)NCCC3=CNC4=CC=CC=C43 |
Product Overview
methyl {3-[(1E)-2-cyano-3-{[2-(1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-1-yl]-1H-indol-1-yl}acetate (CAS 638992-77-5), with molecular formula C25H22N4O3 and molecular weight 426.17 g/mol. IUPAC: methyl 2-[3-[(E)-2-cyano-3-[2-(1H-indol-3-yl)ethylamino]-3-oxoprop-1-enyl]indol-1-yl]acetate.
Chemical Property Profile of methyl {3-[(1E)-2-cyano-3-{[2-(1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-1-yl]-1H-indol-1-yl}acetate
Property Insights of methyl {3-[(1E)-2-cyano-3-{[2-(1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-1-yl]-1H-indol-1-yl}acetate
The XLogP value of 3.56148 indicates that methyl {3-[(1E)-2-cyano-3-{[2-(1H-indol-3-yl)ethyl]amino}-3-oxoprop-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 99.91 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl {3-[(1E)-2-cyano-3-{[2-(1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-1-yl]-1H-indol-1-yl}acetate. Following Lipinski's Rule of Five, methyl {3-[(1E)-2-cyano-3-{[2-(1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-1-yl]-1H-indol-1-yl}acetate has 2 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 methyl {3-[(1E)-2-cyano-3-{[2-(1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-1-yl]-1H-indol-1-yl}acetate?
The CAS number of methyl {3-[(1E)-2-cyano-3-{[2-(1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-1-yl]-1H-indol-1-yl}acetate is 638992-77-5.
What is the molecular formula of methyl {3-[(1E)-2-cyano-3-{[2-(1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-1-yl]-1H-indol-1-yl}acetate?
The molecular formula of methyl {3-[(1E)-2-cyano-3-{[2-(1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-1-yl]-1H-indol-1-yl}acetate is C25H22N4O3.
What is the molecular weight of methyl {3-[(1E)-2-cyano-3-{[2-(1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-1-yl]-1H-indol-1-yl}acetate?
The molecular weight of methyl {3-[(1E)-2-cyano-3-{[2-(1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-1-yl]-1H-indol-1-yl}acetate is 426.17 g/mol.
Where can I buy methyl {3-[(1E)-2-cyano-3-{[2-(1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-1-yl]-1H-indol-1-yl}acetate?
You can request a quote for methyl {3-[(1E)-2-cyano-3-{[2-(1H-indol-3-yl)ethyl]amino}-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 methyl {3-[(1E)-2-cyano-3-{[2-(1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-1-yl]-1H-indol-1-yl}acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl {3-[(1E)-2-cyano-3-{[2-(1H-indol-3-yl)ethyl]amino}-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.