ethyl 2-methyl-5-oxo-1-(3-(trifluoromethyl)phenyl)-4-((3-(trifluoromethyl)phenyl)amino)-2,5-dihydro-1H-pyrrole-2-carboxylate
TL;DR: ethyl 2-methyl-5-oxo-1-(3-(trifluoromethyl)phenyl)-4-((3-(trifluoromethyl)phenyl)amino)-2,5-dihydro-1H-pyrrole-2-carboxylate (CAS 956438-85-0) is a chemical compound with molecular formula C22H18F6N2O3 and molecular weight 472.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-methyl-5-oxo-4-[3-(trifluoromethyl)anilino]-1-[3-(trifluoromethyl)phenyl]pyrrole-2-carboxylate
Also Known As: ethyl 2-methyl-5-oxo-1-(3-(trifluoromethyl)phenyl)-4-((3-(trifluoromethyl)phenyl)amino)-2,5-dihydro-1H-pyrrole-2-carboxylate, ethyl 2-methyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-4-{[3-(trifluoromethyl)phenyl]amino}-2,5-dihydro-1H-pyrrole-2-carboxylate, ethyl 2-methyl-5-oxo-4-[3-(trifluoromethyl)anilino]-1-[3-(trifluoromethyl)phenyl]pyrrole-2-carboxylate
| Molecular Formula | C22H18F6N2O3 |
|---|---|
| Molecular Weight | 472.12 g/mol |
| LogP | 5.3886 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 472.12216 |
| Heavy Atoms | 33 |
| Complexity | 1109.7954 |
Chemical Identifiers
| CAS Number | 956438-85-0 |
|---|---|
| SMILES | CCOC(=O)C1(C=C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)NC3=CC=CC(=C3)C(F)(F)F)C |
Product Overview
ethyl 2-methyl-5-oxo-1-(3-(trifluoromethyl)phenyl)-4-((3-(trifluoromethyl)phenyl)amino)-2,5-dihydro-1H-pyrrole-2-carboxylate (CAS 956438-85-0), with molecular formula C22H18F6N2O3 and molecular weight 472.12 g/mol. IUPAC: ethyl 2-methyl-5-oxo-4-[3-(trifluoromethyl)anilino]-1-[3-(trifluoromethyl)phenyl]pyrrole-2-carboxylate.
Chemical Property Profile of ethyl 2-methyl-5-oxo-1-(3-(trifluoromethyl)phenyl)-4-((3-(trifluoromethyl)phenyl)amino)-2,5-dihydro-1H-pyrrole-2-carboxylate
Property Insights of ethyl 2-methyl-5-oxo-1-(3-(trifluoromethyl)phenyl)-4-((3-(trifluoromethyl)phenyl)amino)-2,5-dihydro-1H-pyrrole-2-carboxylate
The XLogP value of 5.3886 indicates that ethyl 2-methyl-5-oxo-1-(3-(trifluoromethyl)phenyl)-4-((3-(trifluoromethyl)phenyl)amino)-2,5-dihydro-1H-pyrrole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, ethyl 2-methyl-5-oxo-1-(3-(trifluoromethyl)phenyl)-4-((3-(trifluoromethyl)phenyl)amino)-2,5-dihydro-1H-pyrrole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 2-methyl-5-oxo-1-(3-(trifluoromethyl)phenyl)-4-((3-(trifluoromethyl)phenyl)amino)-2,5-dihydro-1H-pyrrole-2-carboxylate has 1 hydrogen bond donor(s) and 4 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-methyl-5-oxo-1-(3-(trifluoromethyl)phenyl)-4-((3-(trifluoromethyl)phenyl)amino)-2,5-dihydro-1H-pyrrole-2-carboxylate?
The CAS number of ethyl 2-methyl-5-oxo-1-(3-(trifluoromethyl)phenyl)-4-((3-(trifluoromethyl)phenyl)amino)-2,5-dihydro-1H-pyrrole-2-carboxylate is 956438-85-0.
What is the molecular formula of ethyl 2-methyl-5-oxo-1-(3-(trifluoromethyl)phenyl)-4-((3-(trifluoromethyl)phenyl)amino)-2,5-dihydro-1H-pyrrole-2-carboxylate?
The molecular formula of ethyl 2-methyl-5-oxo-1-(3-(trifluoromethyl)phenyl)-4-((3-(trifluoromethyl)phenyl)amino)-2,5-dihydro-1H-pyrrole-2-carboxylate is C22H18F6N2O3.
What is the molecular weight of ethyl 2-methyl-5-oxo-1-(3-(trifluoromethyl)phenyl)-4-((3-(trifluoromethyl)phenyl)amino)-2,5-dihydro-1H-pyrrole-2-carboxylate?
The molecular weight of ethyl 2-methyl-5-oxo-1-(3-(trifluoromethyl)phenyl)-4-((3-(trifluoromethyl)phenyl)amino)-2,5-dihydro-1H-pyrrole-2-carboxylate is 472.12 g/mol.
Where can I buy ethyl 2-methyl-5-oxo-1-(3-(trifluoromethyl)phenyl)-4-((3-(trifluoromethyl)phenyl)amino)-2,5-dihydro-1H-pyrrole-2-carboxylate?
You can request a quote for ethyl 2-methyl-5-oxo-1-(3-(trifluoromethyl)phenyl)-4-((3-(trifluoromethyl)phenyl)amino)-2,5-dihydro-1H-pyrrole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-methyl-5-oxo-1-(3-(trifluoromethyl)phenyl)-4-((3-(trifluoromethyl)phenyl)amino)-2,5-dihydro-1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-methyl-5-oxo-1-(3-(trifluoromethyl)phenyl)-4-((3-(trifluoromethyl)phenyl)amino)-2,5-dihydro-1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.