ethyl 2-(3-(3-chloro-4-fluorophenyl)ureido)-3,3,3-trifluoro-2-(4-fluorophenoxy)propanoate
TL;DR: ethyl 2-(3-(3-chloro-4-fluorophenyl)ureido)-3,3,3-trifluoro-2-(4-fluorophenoxy)propanoate (CAS 304881-12-7) is a chemical compound with molecular formula C18H14ClF5N2O4 and molecular weight 452.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3-chloro-4-fluorophenyl)carbamoylamino]-3,3,3-trifluoro-2-(4-fluorophenoxy)propanoate
Also Known As: ethyl 2-(3-(3-chloro-4-fluorophenyl)ureido)-3,3,3-trifluoro-2-(4-fluorophenoxy)propanoate, ethyl N-[(3-chloro-4-fluorophenyl)carbamoyl]-3,3,3-trifluoro-2-(4-fluorophenoxy)alaninate, Ethyl 2-[(3-chloro-4-fluoro-phenyl)carbamoylamino]-3,3,3-trifluoro-2-(4-fluorophenoxy)propanoate, ethyl 2-[(3-chloro-4-fluorophenyl)carbamoylamino]-3,3,3-trifluoro-2-(4-fluorophenoxy)propanoate
| Molecular Formula | C18H14ClF5N2O4 |
|---|---|
| Molecular Weight | 452.06 g/mol |
| LogP | 4.6404 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 452.0562 |
| Heavy Atoms | 30 |
| Complexity | 923.783 |
Chemical Identifiers
| CAS Number | 304881-12-7 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC(=O)NC1=CC(=C(C=C1)F)Cl)OC2=CC=C(C=C2)F |
Product Overview
ethyl 2-(3-(3-chloro-4-fluorophenyl)ureido)-3,3,3-trifluoro-2-(4-fluorophenoxy)propanoate (CAS 304881-12-7), with molecular formula C18H14ClF5N2O4 and molecular weight 452.06 g/mol. IUPAC: ethyl 2-[(3-chloro-4-fluorophenyl)carbamoylamino]-3,3,3-trifluoro-2-(4-fluorophenoxy)propanoate.
Chemical Property Profile of ethyl 2-(3-(3-chloro-4-fluorophenyl)ureido)-3,3,3-trifluoro-2-(4-fluorophenoxy)propanoate
Property Insights of ethyl 2-(3-(3-chloro-4-fluorophenyl)ureido)-3,3,3-trifluoro-2-(4-fluorophenoxy)propanoate
The XLogP value of 4.6404 indicates that ethyl 2-(3-(3-chloro-4-fluorophenyl)ureido)-3,3,3-trifluoro-2-(4-fluorophenoxy)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(3-(3-chloro-4-fluorophenyl)ureido)-3,3,3-trifluoro-2-(4-fluorophenoxy)propanoate. Following Lipinski's Rule of Five, ethyl 2-(3-(3-chloro-4-fluorophenyl)ureido)-3,3,3-trifluoro-2-(4-fluorophenoxy)propanoate 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-(3-(3-chloro-4-fluorophenyl)ureido)-3,3,3-trifluoro-2-(4-fluorophenoxy)propanoate?
The CAS number of ethyl 2-(3-(3-chloro-4-fluorophenyl)ureido)-3,3,3-trifluoro-2-(4-fluorophenoxy)propanoate is 304881-12-7.
What is the molecular formula of ethyl 2-(3-(3-chloro-4-fluorophenyl)ureido)-3,3,3-trifluoro-2-(4-fluorophenoxy)propanoate?
The molecular formula of ethyl 2-(3-(3-chloro-4-fluorophenyl)ureido)-3,3,3-trifluoro-2-(4-fluorophenoxy)propanoate is C18H14ClF5N2O4.
What is the molecular weight of ethyl 2-(3-(3-chloro-4-fluorophenyl)ureido)-3,3,3-trifluoro-2-(4-fluorophenoxy)propanoate?
The molecular weight of ethyl 2-(3-(3-chloro-4-fluorophenyl)ureido)-3,3,3-trifluoro-2-(4-fluorophenoxy)propanoate is 452.06 g/mol.
Where can I buy ethyl 2-(3-(3-chloro-4-fluorophenyl)ureido)-3,3,3-trifluoro-2-(4-fluorophenoxy)propanoate?
You can request a quote for ethyl 2-(3-(3-chloro-4-fluorophenyl)ureido)-3,3,3-trifluoro-2-(4-fluorophenoxy)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-(3-(3-chloro-4-fluorophenyl)ureido)-3,3,3-trifluoro-2-(4-fluorophenoxy)propanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(3-(3-chloro-4-fluorophenyl)ureido)-3,3,3-trifluoro-2-(4-fluorophenoxy)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.