![ethyl 2-[(chloroacetyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]-3,3,3-trifluoroalaninate structure](/static/products/339/339352-73-7.png)
ethyl 2-[(chloroacetyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]-3,3,3-trifluoroalaninate
TL;DR: ethyl 2-[(chloroacetyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]-3,3,3-trifluoroalaninate (CAS 339352-73-7) is a chemical compound with molecular formula C14H12Cl2F6N2O3 and molecular weight 440.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-chloroacetyl)amino]-2-[4-chloro-2-(trifluoromethyl)anilino]-3,3,3-trifluoropropanoate
Also Known As: ethyl 2-[(chloroacetyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]-3,3,3-trifluoroalaninate, Ethyl 2-(2-chloroacetamido)-2-[4-chloro-2-(trifluoromethyl)anilino)-3,3,3-trifluoropropionate, ethyl 2-((4-chloro-2-(trifluoromethyl)phenyl)amino)-2-(2-chloroacetamido)-3,3,3-trifluoropropanoate, ethyl 2-[(2-chloroacetyl)amino]-2-[4-chloro-2-(trifluoromethyl)anilino]-3,3,3-trifluoropropanoate, Ethyl 2-[(chloroacetyl)amino]-2-[4-chloro-2-(trifluoromethyl)anilino]-3,3,3-trifluoropropanoate #
| Molecular Formula | C14H12Cl2F6N2O3 |
|---|---|
| Molecular Weight | 440.01 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 440.0129 |
| Heavy Atoms | 27 |
| Complexity | 546.0 |
Chemical Identifiers
| CAS Number | 339352-73-7 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC1=C(C=C(C=C1)Cl)C(F)(F)F)NC(=O)CCl |
| InChIKey | IMNPEBOFTBSPNK-UHFFFAOYSA-N |
Product Overview
ethyl 2-[(chloroacetyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]-3,3,3-trifluoroalaninate (CAS 339352-73-7), with molecular formula C14H12Cl2F6N2O3 and molecular weight 440.01 g/mol. IUPAC: ethyl 2-[(2-chloroacetyl)amino]-2-[4-chloro-2-(trifluoromethyl)anilino]-3,3,3-trifluoropropanoate.
Chemical Property Profile of ethyl 2-[(chloroacetyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]-3,3,3-trifluoroalaninate
Property Insights of ethyl 2-[(chloroacetyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]-3,3,3-trifluoroalaninate
The XLogP value of 5.3 indicates that ethyl 2-[(chloroacetyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]-3,3,3-trifluoroalaninate 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-[(chloroacetyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]-3,3,3-trifluoroalaninate. Following Lipinski's Rule of Five, ethyl 2-[(chloroacetyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]-3,3,3-trifluoroalaninate has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2-[(chloroacetyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]-3,3,3-trifluoroalaninate?
The CAS number of ethyl 2-[(chloroacetyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]-3,3,3-trifluoroalaninate is 339352-73-7.
What is the molecular formula of ethyl 2-[(chloroacetyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]-3,3,3-trifluoroalaninate?
The molecular formula of ethyl 2-[(chloroacetyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]-3,3,3-trifluoroalaninate is C14H12Cl2F6N2O3.
What is the molecular weight of ethyl 2-[(chloroacetyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]-3,3,3-trifluoroalaninate?
The molecular weight of ethyl 2-[(chloroacetyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]-3,3,3-trifluoroalaninate is 440.01 g/mol.
Where can I buy ethyl 2-[(chloroacetyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]-3,3,3-trifluoroalaninate?
You can request a quote for ethyl 2-[(chloroacetyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]-3,3,3-trifluoroalaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-[(chloroacetyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]-3,3,3-trifluoroalaninate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[(chloroacetyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]-3,3,3-trifluoroalaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.