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Ethyl 4-({[(trifluoroacetyl)amino]carbonyl}amino)benzoate
TL;DR: Ethyl 4-({[(trifluoroacetyl)amino]carbonyl}amino)benzoate (CAS 340264-09-7) is a chemical compound with molecular formula C12H11F3N2O4 and molecular weight 304.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(2,2,2-trifluoroacetyl)carbamoylamino]benzoate
Also Known As: ethyl 4-({[(trifluoroacetyl)amino]carbonyl}amino)benzoate, AP-906/41928108, ethyl 4-[(2,2,2-trifluoroacetyl)carbamoylamino]benzoate, ethyl 4-{[(trifluoroacetyl)carbamoyl]amino}benzoate, ethyl 4-{[(2,2,2-trifluoroacetyl)carbamoyl]amino}benzoate
| Molecular Formula | C12H11F3N2O4 |
|---|---|
| Molecular Weight | 304.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 304.06708 |
| Heavy Atoms | 21 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 340264-09-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)NC(=O)C(F)(F)F |
| InChIKey | XXWUPNZQMVABLS-UHFFFAOYSA-N |
Product Overview
Ethyl 4-({[(trifluoroacetyl)amino]carbonyl}amino)benzoate (CAS 340264-09-7), with molecular formula C12H11F3N2O4 and molecular weight 304.07 g/mol. IUPAC: ethyl 4-[(2,2,2-trifluoroacetyl)carbamoylamino]benzoate.
Chemical Property Profile of Ethyl 4-({[(trifluoroacetyl)amino]carbonyl}amino)benzoate
Property Insights of Ethyl 4-({[(trifluoroacetyl)amino]carbonyl}amino)benzoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-({[(trifluoroacetyl)amino]carbonyl}amino)benzoate. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-({[(trifluoroacetyl)amino]carbonyl}amino)benzoate. Following Lipinski's Rule of Five, Ethyl 4-({[(trifluoroacetyl)amino]carbonyl}amino)benzoate has 2 hydrogen bond donor(s) and 7 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-({[(trifluoroacetyl)amino]carbonyl}amino)benzoate?
The CAS number of Ethyl 4-({[(trifluoroacetyl)amino]carbonyl}amino)benzoate is 340264-09-7.
What is the molecular formula of Ethyl 4-({[(trifluoroacetyl)amino]carbonyl}amino)benzoate?
The molecular formula of Ethyl 4-({[(trifluoroacetyl)amino]carbonyl}amino)benzoate is C12H11F3N2O4.
What is the molecular weight of Ethyl 4-({[(trifluoroacetyl)amino]carbonyl}amino)benzoate?
The molecular weight of Ethyl 4-({[(trifluoroacetyl)amino]carbonyl}amino)benzoate is 304.07 g/mol.
Where can I buy Ethyl 4-({[(trifluoroacetyl)amino]carbonyl}amino)benzoate?
You can request a quote for Ethyl 4-({[(trifluoroacetyl)amino]carbonyl}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-({[(trifluoroacetyl)amino]carbonyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-({[(trifluoroacetyl)amino]carbonyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.