![Ethyl 4-[[2-(3,4-dimethoxyphenyl)-3-oxobut-1-enyl]amino]benzoate structure](/static/products/3390/339017-35-5.webp)
Ethyl 4-[[2-(3,4-dimethoxyphenyl)-3-oxobut-1-enyl]amino]benzoate
TL;DR: Ethyl 4-[[2-(3,4-dimethoxyphenyl)-3-oxobut-1-enyl]amino]benzoate (CAS 339017-35-5) is a chemical compound with molecular formula C21H23NO5 and molecular weight 369.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-(3,4-dimethoxyphenyl)-3-oxobut-1-enyl]amino]benzoate
Also Known As: Bionet1_002576, ethyl 4-{[2-(3,4-dimethoxyphenyl)-3-oxo-1-butenyl]amino}benzenecarboxylate, ethyl 4-[[2-(3,4-dimethoxyphenyl)-3-oxobut-1-enyl]amino]benzoate
| Molecular Formula | C21H23NO5 |
|---|---|
| Molecular Weight | 369.16 g/mol |
| LogP | 3.9225 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 369.15762 |
| Heavy Atoms | 27 |
| Complexity | 840.1505 |
Chemical Identifiers
| CAS Number | 339017-35-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC=C(C2=CC(=C(C=C2)OC)OC)C(=O)C |
Product Overview
Ethyl 4-[[2-(3,4-dimethoxyphenyl)-3-oxobut-1-enyl]amino]benzoate (CAS 339017-35-5), with molecular formula C21H23NO5 and molecular weight 369.16 g/mol. IUPAC: ethyl 4-[[2-(3,4-dimethoxyphenyl)-3-oxobut-1-enyl]amino]benzoate.
Chemical Property Profile of Ethyl 4-[[2-(3,4-dimethoxyphenyl)-3-oxobut-1-enyl]amino]benzoate
Property Insights of Ethyl 4-[[2-(3,4-dimethoxyphenyl)-3-oxobut-1-enyl]amino]benzoate
The XLogP value of 3.9225 indicates that Ethyl 4-[[2-(3,4-dimethoxyphenyl)-3-oxobut-1-enyl]amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[[2-(3,4-dimethoxyphenyl)-3-oxobut-1-enyl]amino]benzoate. Following Lipinski's Rule of Five, Ethyl 4-[[2-(3,4-dimethoxyphenyl)-3-oxobut-1-enyl]amino]benzoate has 1 hydrogen bond donor(s) and 6 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 4-[[2-(3,4-dimethoxyphenyl)-3-oxobut-1-enyl]amino]benzoate?
The CAS number of Ethyl 4-[[2-(3,4-dimethoxyphenyl)-3-oxobut-1-enyl]amino]benzoate is 339017-35-5.
What is the molecular formula of Ethyl 4-[[2-(3,4-dimethoxyphenyl)-3-oxobut-1-enyl]amino]benzoate?
The molecular formula of Ethyl 4-[[2-(3,4-dimethoxyphenyl)-3-oxobut-1-enyl]amino]benzoate is C21H23NO5.
What is the molecular weight of Ethyl 4-[[2-(3,4-dimethoxyphenyl)-3-oxobut-1-enyl]amino]benzoate?
The molecular weight of Ethyl 4-[[2-(3,4-dimethoxyphenyl)-3-oxobut-1-enyl]amino]benzoate is 369.16 g/mol.
Where can I buy Ethyl 4-[[2-(3,4-dimethoxyphenyl)-3-oxobut-1-enyl]amino]benzoate?
You can request a quote for Ethyl 4-[[2-(3,4-dimethoxyphenyl)-3-oxobut-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 4-[[2-(3,4-dimethoxyphenyl)-3-oxobut-1-enyl]amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[[2-(3,4-dimethoxyphenyl)-3-oxobut-1-enyl]amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.