Ethyl 2-(2-chloroacetamido)-3,3,3-trifluoro-2-(4-fluoroanilino)propionate
TL;DR: Ethyl 2-(2-chloroacetamido)-3,3,3-trifluoro-2-(4-fluoroanilino)propionate (CAS 339352-58-8) is a chemical compound with molecular formula C13H13ClF4N2O3 and molecular weight 356.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-chloroacetyl)amino]-3,3,3-trifluoro-2-(4-fluoroanilino)propanoate
Also Known As: Ethyl 2-(2-chloroacetamido)-3,3,3-trifluoro-2-(4-fluoroanilino)propionate, ethyl N-(chloroacetyl)-3,3,3-trifluoro-2-[(4-fluorophenyl)amino]alaninate, ethyl 2-(2-chloroacetamido)-3,3,3-trifluoro-2-((4-fluorophenyl)amino)propanoate, ETHYL 2-(2-CHLOROACETAMIDO)-3,3,3-TRIFLUORO-2-[(4-FLUOROPHENYL)AMINO]PROPANOATE, ethyl 2-[(2-chloroacetyl)amino]-3,3,3-trifluoro-2-(4-fluoroanilino)propanoate
| Molecular Formula | C13H13ClF4N2O3 |
|---|---|
| Molecular Weight | 356.06 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 356.05508 |
| Heavy Atoms | 23 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 339352-58-8 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)F)NC(=O)CCl |
| InChIKey | TZOMGVOHUCIJOD-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(2-chloroacetamido)-3,3,3-trifluoro-2-(4-fluoroanilino)propionate (CAS 339352-58-8), with molecular formula C13H13ClF4N2O3 and molecular weight 356.06 g/mol. IUPAC: ethyl 2-[(2-chloroacetyl)amino]-3,3,3-trifluoro-2-(4-fluoroanilino)propanoate.
Chemical Property Profile of Ethyl 2-(2-chloroacetamido)-3,3,3-trifluoro-2-(4-fluoroanilino)propionate
Property Insights of Ethyl 2-(2-chloroacetamido)-3,3,3-trifluoro-2-(4-fluoroanilino)propionate
The XLogP value of 3.8 indicates that Ethyl 2-(2-chloroacetamido)-3,3,3-trifluoro-2-(4-fluoroanilino)propionate 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 2-(2-chloroacetamido)-3,3,3-trifluoro-2-(4-fluoroanilino)propionate. Following Lipinski's Rule of Five, Ethyl 2-(2-chloroacetamido)-3,3,3-trifluoro-2-(4-fluoroanilino)propionate has 2 hydrogen bond donor(s) and 8 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-(2-chloroacetamido)-3,3,3-trifluoro-2-(4-fluoroanilino)propionate?
The CAS number of Ethyl 2-(2-chloroacetamido)-3,3,3-trifluoro-2-(4-fluoroanilino)propionate is 339352-58-8.
What is the molecular formula of Ethyl 2-(2-chloroacetamido)-3,3,3-trifluoro-2-(4-fluoroanilino)propionate?
The molecular formula of Ethyl 2-(2-chloroacetamido)-3,3,3-trifluoro-2-(4-fluoroanilino)propionate is C13H13ClF4N2O3.
What is the molecular weight of Ethyl 2-(2-chloroacetamido)-3,3,3-trifluoro-2-(4-fluoroanilino)propionate?
The molecular weight of Ethyl 2-(2-chloroacetamido)-3,3,3-trifluoro-2-(4-fluoroanilino)propionate is 356.06 g/mol.
Where can I buy Ethyl 2-(2-chloroacetamido)-3,3,3-trifluoro-2-(4-fluoroanilino)propionate?
You can request a quote for Ethyl 2-(2-chloroacetamido)-3,3,3-trifluoro-2-(4-fluoroanilino)propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(2-chloroacetamido)-3,3,3-trifluoro-2-(4-fluoroanilino)propionate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(2-chloroacetamido)-3,3,3-trifluoro-2-(4-fluoroanilino)propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.