Ethyl 2-(acetylamino)-3-(4-fluoroanilino)-3-oxopropanoate
TL;DR: Ethyl 2-(acetylamino)-3-(4-fluoroanilino)-3-oxopropanoate (CAS 866017-95-0) is a chemical compound with molecular formula C13H15FN2O4 and molecular weight 282.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-acetamido-3-(4-fluoroanilino)-3-oxopropanoate
Also Known As: ethyl 2-(acetylamino)-3-(4-fluoroanilino)-3-oxopropanoate, Ethyl 2-acetamido-2-[(4-fluorophenyl)carbamoyl]acetate, ethyl 2-acetamido-3-(4-fluoroanilino)-3-oxopropanoate, 4R-1506, Ethyl2-acetamido-2-[(4-fluorophenyl)carbamoyl]acetate
| Molecular Formula | C13H15FN2O4 |
|---|---|
| Molecular Weight | 282.10 g/mol |
| LogP | 0.832 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 282.1016 |
| Heavy Atoms | 20 |
| Complexity | 501.59753 |
Chemical Identifiers
| CAS Number | 866017-95-0 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)NC1=CC=C(C=C1)F)NC(=O)C |
Product Overview
Ethyl 2-(acetylamino)-3-(4-fluoroanilino)-3-oxopropanoate (CAS 866017-95-0), with molecular formula C13H15FN2O4 and molecular weight 282.10 g/mol. IUPAC: ethyl 2-acetamido-3-(4-fluoroanilino)-3-oxopropanoate.
Chemical Property Profile of Ethyl 2-(acetylamino)-3-(4-fluoroanilino)-3-oxopropanoate
Property Insights of Ethyl 2-(acetylamino)-3-(4-fluoroanilino)-3-oxopropanoate
The XLogP value of 0.832 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(acetylamino)-3-(4-fluoroanilino)-3-oxopropanoate. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(acetylamino)-3-(4-fluoroanilino)-3-oxopropanoate. Following Lipinski's Rule of Five, Ethyl 2-(acetylamino)-3-(4-fluoroanilino)-3-oxopropanoate 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 Ethyl 2-(acetylamino)-3-(4-fluoroanilino)-3-oxopropanoate?
The CAS number of Ethyl 2-(acetylamino)-3-(4-fluoroanilino)-3-oxopropanoate is 866017-95-0.
What is the molecular formula of Ethyl 2-(acetylamino)-3-(4-fluoroanilino)-3-oxopropanoate?
The molecular formula of Ethyl 2-(acetylamino)-3-(4-fluoroanilino)-3-oxopropanoate is C13H15FN2O4.
What is the molecular weight of Ethyl 2-(acetylamino)-3-(4-fluoroanilino)-3-oxopropanoate?
The molecular weight of Ethyl 2-(acetylamino)-3-(4-fluoroanilino)-3-oxopropanoate is 282.10 g/mol.
Where can I buy Ethyl 2-(acetylamino)-3-(4-fluoroanilino)-3-oxopropanoate?
You can request a quote for Ethyl 2-(acetylamino)-3-(4-fluoroanilino)-3-oxopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(acetylamino)-3-(4-fluoroanilino)-3-oxopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(acetylamino)-3-(4-fluoroanilino)-3-oxopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.