![ethyl 4-({[3-ethoxy-1,1,1-trifluoro-3-oxo-2-(2,2,2-trifluoroethoxy)propan-2-yl]carbamoyl}amino)benzoate structure](/static/products/372/372504-33-1.png)
ethyl 4-({[3-ethoxy-1,1,1-trifluoro-3-oxo-2-(2,2,2-trifluoroethoxy)propan-2-yl]carbamoyl}amino)benzoate
TL;DR: ethyl 4-({[3-ethoxy-1,1,1-trifluoro-3-oxo-2-(2,2,2-trifluoroethoxy)propan-2-yl]carbamoyl}amino)benzoate (CAS 372504-33-1) is a chemical compound with molecular formula C17H18F6N2O6 and molecular weight 460.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[3-ethoxy-1,1,1-trifluoro-3-oxo-2-(2,2,2-trifluoroethoxy)propan-2-yl]carbamoylamino]benzoate
Also Known As: ethyl 4-({[3-ethoxy-1,1,1-trifluoro-3-oxo-2-(2,2,2-trifluoroethoxy)propan-2-yl]carbamoyl}amino)benzoate, ethyl 4-(3-(3-ethoxy-1,1,1-trifluoro-3-oxo-2-(2,2,2-trifluoroethoxy)propan-2-yl)ureido)benzoate, Ethyl 4-[[1-ethoxycarbonyl-2,2,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethyl]carbamoylamino]benzoate, ethyl 4-[[3-ethoxy-1,1,1-trifluoro-3-oxo-2-(2,2,2-trifluoroethoxy)propan-2-yl]carbamoylamino]benzoate
| Molecular Formula | C17H18F6N2O6 |
|---|---|
| Molecular Weight | 460.11 g/mol |
| LogP | 3.3854 |
| Topological Polar Surface Area | 102.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 460.1069 |
| Heavy Atoms | 31 |
| Complexity | 780.80206 |
Chemical Identifiers
| CAS Number | 372504-33-1 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)NC(C(=O)OCC)(C(F)(F)F)OCC(F)(F)F |
Product Overview
ethyl 4-({[3-ethoxy-1,1,1-trifluoro-3-oxo-2-(2,2,2-trifluoroethoxy)propan-2-yl]carbamoyl}amino)benzoate (CAS 372504-33-1), with molecular formula C17H18F6N2O6 and molecular weight 460.11 g/mol. IUPAC: ethyl 4-[[3-ethoxy-1,1,1-trifluoro-3-oxo-2-(2,2,2-trifluoroethoxy)propan-2-yl]carbamoylamino]benzoate.
Chemical Property Profile of ethyl 4-({[3-ethoxy-1,1,1-trifluoro-3-oxo-2-(2,2,2-trifluoroethoxy)propan-2-yl]carbamoyl}amino)benzoate
Property Insights of ethyl 4-({[3-ethoxy-1,1,1-trifluoro-3-oxo-2-(2,2,2-trifluoroethoxy)propan-2-yl]carbamoyl}amino)benzoate
The XLogP value of 3.3854 indicates that ethyl 4-({[3-ethoxy-1,1,1-trifluoro-3-oxo-2-(2,2,2-trifluoroethoxy)propan-2-yl]carbamoyl}amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.96 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-({[3-ethoxy-1,1,1-trifluoro-3-oxo-2-(2,2,2-trifluoroethoxy)propan-2-yl]carbamoyl}amino)benzoate. Following Lipinski's Rule of Five, ethyl 4-({[3-ethoxy-1,1,1-trifluoro-3-oxo-2-(2,2,2-trifluoroethoxy)propan-2-yl]carbamoyl}amino)benzoate has 2 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-({[3-ethoxy-1,1,1-trifluoro-3-oxo-2-(2,2,2-trifluoroethoxy)propan-2-yl]carbamoyl}amino)benzoate?
The CAS number of ethyl 4-({[3-ethoxy-1,1,1-trifluoro-3-oxo-2-(2,2,2-trifluoroethoxy)propan-2-yl]carbamoyl}amino)benzoate is 372504-33-1.
What is the molecular formula of ethyl 4-({[3-ethoxy-1,1,1-trifluoro-3-oxo-2-(2,2,2-trifluoroethoxy)propan-2-yl]carbamoyl}amino)benzoate?
The molecular formula of ethyl 4-({[3-ethoxy-1,1,1-trifluoro-3-oxo-2-(2,2,2-trifluoroethoxy)propan-2-yl]carbamoyl}amino)benzoate is C17H18F6N2O6.
What is the molecular weight of ethyl 4-({[3-ethoxy-1,1,1-trifluoro-3-oxo-2-(2,2,2-trifluoroethoxy)propan-2-yl]carbamoyl}amino)benzoate?
The molecular weight of ethyl 4-({[3-ethoxy-1,1,1-trifluoro-3-oxo-2-(2,2,2-trifluoroethoxy)propan-2-yl]carbamoyl}amino)benzoate is 460.11 g/mol.
Where can I buy ethyl 4-({[3-ethoxy-1,1,1-trifluoro-3-oxo-2-(2,2,2-trifluoroethoxy)propan-2-yl]carbamoyl}amino)benzoate?
You can request a quote for ethyl 4-({[3-ethoxy-1,1,1-trifluoro-3-oxo-2-(2,2,2-trifluoroethoxy)propan-2-yl]carbamoyl}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-({[3-ethoxy-1,1,1-trifluoro-3-oxo-2-(2,2,2-trifluoroethoxy)propan-2-yl]carbamoyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-({[3-ethoxy-1,1,1-trifluoro-3-oxo-2-(2,2,2-trifluoroethoxy)propan-2-yl]carbamoyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.