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Ethyl 4-[acetyl(3-oxobut-1-enyl)amino]benzoate
TL;DR: Ethyl 4-[acetyl(3-oxobut-1-enyl)amino]benzoate (CAS 4788-78-7) is a chemical compound with molecular formula C15H17NO4 and molecular weight 275.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[acetyl(3-oxobut-1-enyl)amino]benzoate
Also Known As: NCIOpen2_005430, ethyl 4-[acetyl(3-oxobut-1-enyl)amino]benzoate, ethyl 4-[acetyl(3-oxobut-1-en-1-yl)amino]benzoate, ethyl 4-[acetyl-[(E)-3-oxobut-1-enyl]amino]benzoate
| Molecular Formula | C15H17NO4 |
|---|---|
| Molecular Weight | 275.12 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 63.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 275.11575 |
| Heavy Atoms | 20 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 4788-78-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N(C=CC(=O)C)C(=O)C |
| InChIKey | VJFSYQHPGAKQEC-UHFFFAOYSA-N |
Product Overview
Ethyl 4-[acetyl(3-oxobut-1-enyl)amino]benzoate (CAS 4788-78-7), with molecular formula C15H17NO4 and molecular weight 275.12 g/mol. IUPAC: ethyl 4-[acetyl(3-oxobut-1-enyl)amino]benzoate.
Chemical Property Profile of Ethyl 4-[acetyl(3-oxobut-1-enyl)amino]benzoate
Property Insights of Ethyl 4-[acetyl(3-oxobut-1-enyl)amino]benzoate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[acetyl(3-oxobut-1-enyl)amino]benzoate. The TPSA of 63.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[acetyl(3-oxobut-1-enyl)amino]benzoate. Following Lipinski's Rule of Five, Ethyl 4-[acetyl(3-oxobut-1-enyl)amino]benzoate has 0 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-[acetyl(3-oxobut-1-enyl)amino]benzoate?
The CAS number of Ethyl 4-[acetyl(3-oxobut-1-enyl)amino]benzoate is 4788-78-7.
What is the molecular formula of Ethyl 4-[acetyl(3-oxobut-1-enyl)amino]benzoate?
The molecular formula of Ethyl 4-[acetyl(3-oxobut-1-enyl)amino]benzoate is C15H17NO4.
What is the molecular weight of Ethyl 4-[acetyl(3-oxobut-1-enyl)amino]benzoate?
The molecular weight of Ethyl 4-[acetyl(3-oxobut-1-enyl)amino]benzoate is 275.12 g/mol.
Where can I buy Ethyl 4-[acetyl(3-oxobut-1-enyl)amino]benzoate?
You can request a quote for Ethyl 4-[acetyl(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-[acetyl(3-oxobut-1-enyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[acetyl(3-oxobut-1-enyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.