![ethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-[(4-fluorobenzyl)amino]-3-oxopropanoate structure](/static/products/4780/478063-75-1.webp)
ethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-[(4-fluorobenzyl)amino]-3-oxopropanoate
TL;DR: ethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-[(4-fluorobenzyl)amino]-3-oxopropanoate (CAS 478063-75-1) is a chemical compound with molecular formula C18H15ClF4N2O3 and molecular weight 418.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-[(4-fluorophenyl)methylamino]-3-oxopropanoate
Also Known As: ethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-[(4-fluorobenzyl)amino]-3-oxopropanoate, ethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-[(4-fluorophenyl)methylamino]-3-oxopropanoate, ethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-{[(4-fluorophenyl)methyl]carbamoyl}acetate, ethyl2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-{[(4-fluorophenyl)methyl]carbamoyl}acetate
| Molecular Formula | C18H15ClF4N2O3 |
|---|---|
| Molecular Weight | 418.07 g/mol |
| LogP | 3.856 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.07074 |
| Heavy Atoms | 28 |
| Complexity | 856.8995 |
Chemical Identifiers
| CAS Number | 478063-75-1 |
|---|---|
| SMILES | CCOC(=O)C(C1=C(C=C(C=N1)C(F)(F)F)Cl)C(=O)NCC2=CC=C(C=C2)F |
Product Overview
ethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-[(4-fluorobenzyl)amino]-3-oxopropanoate (CAS 478063-75-1), with molecular formula C18H15ClF4N2O3 and molecular weight 418.07 g/mol. IUPAC: ethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-[(4-fluorophenyl)methylamino]-3-oxopropanoate.
Chemical Property Profile of ethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-[(4-fluorobenzyl)amino]-3-oxopropanoate
Property Insights of ethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-[(4-fluorobenzyl)amino]-3-oxopropanoate
The XLogP value of 3.856 indicates that ethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-[(4-fluorobenzyl)amino]-3-oxopropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-[(4-fluorobenzyl)amino]-3-oxopropanoate. Following Lipinski's Rule of Five, ethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-[(4-fluorobenzyl)amino]-3-oxopropanoate has 1 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-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-[(4-fluorobenzyl)amino]-3-oxopropanoate?
The CAS number of ethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-[(4-fluorobenzyl)amino]-3-oxopropanoate is 478063-75-1.
What is the molecular formula of ethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-[(4-fluorobenzyl)amino]-3-oxopropanoate?
The molecular formula of ethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-[(4-fluorobenzyl)amino]-3-oxopropanoate is C18H15ClF4N2O3.
What is the molecular weight of ethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-[(4-fluorobenzyl)amino]-3-oxopropanoate?
The molecular weight of ethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-[(4-fluorobenzyl)amino]-3-oxopropanoate is 418.07 g/mol.
Where can I buy ethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-[(4-fluorobenzyl)amino]-3-oxopropanoate?
You can request a quote for ethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-[(4-fluorobenzyl)amino]-3-oxopropanoate 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-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-[(4-fluorobenzyl)amino]-3-oxopropanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-[(4-fluorobenzyl)amino]-3-oxopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.