![ethyl 2-[[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]amino]benzoate structure](/static/products/5476/5476-57-3.webp)
ethyl 2-[[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]amino]benzoate
TL;DR: ethyl 2-[[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]amino]benzoate (CAS 5476-57-3) is a chemical compound with molecular formula C20H19N3O3 and molecular weight 349.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]amino]benzoate
Also Known As: BIM-0006324.P001, ethyl 2-[[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]amino]benzoate, AB00086432-01, ethyl 2-{[3-(benzylamino)-2-cyano-3-oxo-1-propen-1-yl]amino}benzoate, Ethyl 2-{[(1E)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]amino}benzoate
| Molecular Formula | C20H19N3O3 |
|---|---|
| Molecular Weight | 349.14 g/mol |
| LogP | 2.99908 |
| Topological Polar Surface Area | 91.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 349.14264 |
| Heavy Atoms | 26 |
| Complexity | 838.87994 |
Chemical Identifiers
| CAS Number | 5476-57-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1N/C=C(\C#N)/C(=O)NCC2=CC=CC=C2 |
Product Overview
ethyl 2-[[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]amino]benzoate (CAS 5476-57-3), with molecular formula C20H19N3O3 and molecular weight 349.14 g/mol. IUPAC: ethyl 2-[[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]amino]benzoate.
Chemical Property Profile of ethyl 2-[[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]amino]benzoate
Property Insights of ethyl 2-[[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]amino]benzoate
The XLogP value of 2.99908 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-[[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]amino]benzoate. The TPSA of 91.22 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-[[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]amino]benzoate. Following Lipinski's Rule of Five, ethyl 2-[[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]amino]benzoate has 2 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 ethyl 2-[[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]amino]benzoate?
The CAS number of ethyl 2-[[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]amino]benzoate is 5476-57-3.
What is the molecular formula of ethyl 2-[[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]amino]benzoate?
The molecular formula of ethyl 2-[[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]amino]benzoate is C20H19N3O3.
What is the molecular weight of ethyl 2-[[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]amino]benzoate?
The molecular weight of ethyl 2-[[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]amino]benzoate is 349.14 g/mol.
Where can I buy ethyl 2-[[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]amino]benzoate?
You can request a quote for ethyl 2-[[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-[[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.