Ethyl 4-((2-((4-fluorophenyl)amino)-2-oxoethyl)amino)benzoate
TL;DR: Ethyl 4-((2-((4-fluorophenyl)amino)-2-oxoethyl)amino)benzoate (CAS 457927-80-9) is a chemical compound with molecular formula C17H17FN2O3 and molecular weight 316.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-(4-fluoroanilino)-2-oxoethyl]amino]benzoate
Also Known As: ethyl 4-((2-((4-fluorophenyl)amino)-2-oxoethyl)amino)benzoate, ethyl 4-({[(4-fluorophenyl)carbamoyl]methyl}amino)benzoate, AP-906/41641276, ethyl 4-[[2-(4-fluoroanilino)-2-oxoethyl]amino]benzoate, ethyl4-({[(4-fluorophenyl)carbamoyl]methyl}amino)benzoate
| Molecular Formula | C17H17FN2O3 |
|---|---|
| Molecular Weight | 316.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 316.1223 |
| Heavy Atoms | 23 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 457927-80-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NCC(=O)NC2=CC=C(C=C2)F |
| InChIKey | VQIMFTKSYQCQOH-UHFFFAOYSA-N |
Product Overview
Ethyl 4-((2-((4-fluorophenyl)amino)-2-oxoethyl)amino)benzoate (CAS 457927-80-9), with molecular formula C17H17FN2O3 and molecular weight 316.12 g/mol. IUPAC: ethyl 4-[[2-(4-fluoroanilino)-2-oxoethyl]amino]benzoate.
Chemical Property Profile of Ethyl 4-((2-((4-fluorophenyl)amino)-2-oxoethyl)amino)benzoate
Property Insights of Ethyl 4-((2-((4-fluorophenyl)amino)-2-oxoethyl)amino)benzoate
The XLogP value of 3.1 indicates that Ethyl 4-((2-((4-fluorophenyl)amino)-2-oxoethyl)amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-((2-((4-fluorophenyl)amino)-2-oxoethyl)amino)benzoate. Following Lipinski's Rule of Five, Ethyl 4-((2-((4-fluorophenyl)amino)-2-oxoethyl)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 4-((2-((4-fluorophenyl)amino)-2-oxoethyl)amino)benzoate?
The CAS number of Ethyl 4-((2-((4-fluorophenyl)amino)-2-oxoethyl)amino)benzoate is 457927-80-9.
What is the molecular formula of Ethyl 4-((2-((4-fluorophenyl)amino)-2-oxoethyl)amino)benzoate?
The molecular formula of Ethyl 4-((2-((4-fluorophenyl)amino)-2-oxoethyl)amino)benzoate is C17H17FN2O3.
What is the molecular weight of Ethyl 4-((2-((4-fluorophenyl)amino)-2-oxoethyl)amino)benzoate?
The molecular weight of Ethyl 4-((2-((4-fluorophenyl)amino)-2-oxoethyl)amino)benzoate is 316.12 g/mol.
Where can I buy Ethyl 4-((2-((4-fluorophenyl)amino)-2-oxoethyl)amino)benzoate?
You can request a quote for Ethyl 4-((2-((4-fluorophenyl)amino)-2-oxoethyl)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-((4-fluorophenyl)amino)-2-oxoethyl)amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-((2-((4-fluorophenyl)amino)-2-oxoethyl)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.