(E)-ethyl 2-(((1-chlorobutylidene)amino)oxy)-3,3,3-trifluoro-2-(3-(4-(trifluoromethyl)phenyl)ureido)propanoate
TL;DR: (E)-ethyl 2-(((1-chlorobutylidene)amino)oxy)-3,3,3-trifluoro-2-(3-(4-(trifluoromethyl)phenyl)ureido)propanoate (CAS 304881-00-3) is a chemical compound with molecular formula C17H18ClF6N3O4 and molecular weight 477.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(E)-1-chlorobutylideneamino]oxy-3,3,3-trifluoro-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]propanoate
Also Known As: (E)-ethyl 2-(((1-chlorobutylidene)amino)oxy)-3,3,3-trifluoro-2-(3-(4-(trifluoromethyl)phenyl)ureido)propanoate, ethyl 2-({[(1E)-1-chlorobutylidene]amino}oxy)-3,3,3-trifluoro-N-{[4-(trifluoromethyl)phenyl]carbamoyl}alaninate, ethyl 2-[(E)-1-chlorobutylideneamino]oxy-3,3,3-trifluoro-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]propanoate
| Molecular Formula | C17H18ClF6N3O4 |
|---|---|
| Molecular Weight | 477.09 g/mol |
| LogP | 5.0176 |
| Topological Polar Surface Area | 89.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 477.089 |
| Heavy Atoms | 31 |
| Complexity | 798.542 |
Chemical Identifiers
| CAS Number | 304881-00-3 |
|---|---|
| SMILES | CCC/C(=N\OC(C(=O)OCC)(C(F)(F)F)NC(=O)NC1=CC=C(C=C1)C(F)(F)F)/Cl |
Product Overview
(E)-ethyl 2-(((1-chlorobutylidene)amino)oxy)-3,3,3-trifluoro-2-(3-(4-(trifluoromethyl)phenyl)ureido)propanoate (CAS 304881-00-3), with molecular formula C17H18ClF6N3O4 and molecular weight 477.09 g/mol. IUPAC: ethyl 2-[(E)-1-chlorobutylideneamino]oxy-3,3,3-trifluoro-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]propanoate.
Chemical Property Profile of (E)-ethyl 2-(((1-chlorobutylidene)amino)oxy)-3,3,3-trifluoro-2-(3-(4-(trifluoromethyl)phenyl)ureido)propanoate
Property Insights of (E)-ethyl 2-(((1-chlorobutylidene)amino)oxy)-3,3,3-trifluoro-2-(3-(4-(trifluoromethyl)phenyl)ureido)propanoate
The XLogP value of 5.0176 indicates that (E)-ethyl 2-(((1-chlorobutylidene)amino)oxy)-3,3,3-trifluoro-2-(3-(4-(trifluoromethyl)phenyl)ureido)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.02 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-ethyl 2-(((1-chlorobutylidene)amino)oxy)-3,3,3-trifluoro-2-(3-(4-(trifluoromethyl)phenyl)ureido)propanoate. Following Lipinski's Rule of Five, (E)-ethyl 2-(((1-chlorobutylidene)amino)oxy)-3,3,3-trifluoro-2-(3-(4-(trifluoromethyl)phenyl)ureido)propanoate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-ethyl 2-(((1-chlorobutylidene)amino)oxy)-3,3,3-trifluoro-2-(3-(4-(trifluoromethyl)phenyl)ureido)propanoate?
The CAS number of (E)-ethyl 2-(((1-chlorobutylidene)amino)oxy)-3,3,3-trifluoro-2-(3-(4-(trifluoromethyl)phenyl)ureido)propanoate is 304881-00-3.
What is the molecular formula of (E)-ethyl 2-(((1-chlorobutylidene)amino)oxy)-3,3,3-trifluoro-2-(3-(4-(trifluoromethyl)phenyl)ureido)propanoate?
The molecular formula of (E)-ethyl 2-(((1-chlorobutylidene)amino)oxy)-3,3,3-trifluoro-2-(3-(4-(trifluoromethyl)phenyl)ureido)propanoate is C17H18ClF6N3O4.
What is the molecular weight of (E)-ethyl 2-(((1-chlorobutylidene)amino)oxy)-3,3,3-trifluoro-2-(3-(4-(trifluoromethyl)phenyl)ureido)propanoate?
The molecular weight of (E)-ethyl 2-(((1-chlorobutylidene)amino)oxy)-3,3,3-trifluoro-2-(3-(4-(trifluoromethyl)phenyl)ureido)propanoate is 477.09 g/mol.
Where can I buy (E)-ethyl 2-(((1-chlorobutylidene)amino)oxy)-3,3,3-trifluoro-2-(3-(4-(trifluoromethyl)phenyl)ureido)propanoate?
You can request a quote for (E)-ethyl 2-(((1-chlorobutylidene)amino)oxy)-3,3,3-trifluoro-2-(3-(4-(trifluoromethyl)phenyl)ureido)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-ethyl 2-(((1-chlorobutylidene)amino)oxy)-3,3,3-trifluoro-2-(3-(4-(trifluoromethyl)phenyl)ureido)propanoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 2-(((1-chlorobutylidene)amino)oxy)-3,3,3-trifluoro-2-(3-(4-(trifluoromethyl)phenyl)ureido)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.