![ethyl 4-[[(E)-3-oxobut-1-enyl]amino]benzoate structure](/static/products/488/4881-20-3.png)
ethyl 4-[[(E)-3-oxobut-1-enyl]amino]benzoate
TL;DR: ethyl 4-[[(E)-3-oxobut-1-enyl]amino]benzoate (CAS 4881-20-3) is a chemical compound with molecular formula C13H15NO3 and molecular weight 233.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[(E)-3-oxobut-1-enyl]amino]benzoate
Also Known As: ethyl 4-(3-oxobut-1-enylamino)benzoate, ethyl 4-[(3-oxobut-1-en-1-yl)amino]benzoate, ethyl 4-[[(E)-3-oxobut-1-enyl]amino]benzoate, 4-(4-Carbethoxy-phenylamino)-3-buten-2-on
| Molecular Formula | C13H15NO3 |
|---|---|
| Molecular Weight | 233.11 g/mol |
| LogP | 2.3779 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 233.1052 |
| Heavy Atoms | 17 |
| Complexity | 420.79565 |
Chemical Identifiers
| CAS Number | 4881-20-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N/C=C/C(=O)C |
Product Overview
ethyl 4-[[(E)-3-oxobut-1-enyl]amino]benzoate (CAS 4881-20-3), with molecular formula C13H15NO3 and molecular weight 233.11 g/mol. IUPAC: ethyl 4-[[(E)-3-oxobut-1-enyl]amino]benzoate.
Chemical Property Profile of ethyl 4-[[(E)-3-oxobut-1-enyl]amino]benzoate
Property Insights of ethyl 4-[[(E)-3-oxobut-1-enyl]amino]benzoate
The XLogP value of 2.3779 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-[[(E)-3-oxobut-1-enyl]amino]benzoate. With a topological polar surface area (TPSA) of 55.4 Ų, ethyl 4-[[(E)-3-oxobut-1-enyl]amino]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 4-[[(E)-3-oxobut-1-enyl]amino]benzoate 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 4-[[(E)-3-oxobut-1-enyl]amino]benzoate?
The CAS number of ethyl 4-[[(E)-3-oxobut-1-enyl]amino]benzoate is 4881-20-3.
What is the molecular formula of ethyl 4-[[(E)-3-oxobut-1-enyl]amino]benzoate?
The molecular formula of ethyl 4-[[(E)-3-oxobut-1-enyl]amino]benzoate is C13H15NO3.
What is the molecular weight of ethyl 4-[[(E)-3-oxobut-1-enyl]amino]benzoate?
The molecular weight of ethyl 4-[[(E)-3-oxobut-1-enyl]amino]benzoate is 233.11 g/mol.
Where can I buy ethyl 4-[[(E)-3-oxobut-1-enyl]amino]benzoate?
You can request a quote for ethyl 4-[[(E)-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-[[(E)-3-oxobut-1-enyl]amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-[[(E)-3-oxobut-1-enyl]amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.