![methyl 2-methyl-5-oxo-4-(trifluoromethyl)-4-({[3-(trifluoromethyl)phenyl]carbonyl}amino)-4,5-dihydro-1H-pyrrole-3-carboxylate structure](/static/products/845/845659-91-8.png)
methyl 2-methyl-5-oxo-4-(trifluoromethyl)-4-({[3-(trifluoromethyl)phenyl]carbonyl}amino)-4,5-dihydro-1H-pyrrole-3-carboxylate
TL;DR: methyl 2-methyl-5-oxo-4-(trifluoromethyl)-4-({[3-(trifluoromethyl)phenyl]carbonyl}amino)-4,5-dihydro-1H-pyrrole-3-carboxylate (CAS 845659-91-8) is a chemical compound with molecular formula C16H12F6N2O4 and molecular weight 410.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-methyl-5-oxo-4-(trifluoromethyl)-4-[[3-(trifluoromethyl)benzoyl]amino]-1H-pyrrole-3-carboxylate
Also Known As: methyl 2-methyl-5-oxo-4-(trifluoromethyl)-4-({[3-(trifluoromethyl)phenyl]carbonyl}amino)-4,5-dihydro-1H-pyrrole-3-carboxylate, methyl 2-methyl-5-oxo-4-(trifluoromethyl)-4-(3-(trifluoromethyl)benzamido)-4,5-dihydro-1H-pyrrole-3-carboxylate, methyl 2-methyl-5-oxo-4-(trifluoromethyl)-4-[[3-(trifluoromethyl)benzoyl]amino]-1H-pyrrole-3-carboxylate
| Molecular Formula | C16H12F6N2O4 |
|---|---|
| Molecular Weight | 410.07 g/mol |
| LogP | 2.3131 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 410.07013 |
| Heavy Atoms | 28 |
| Complexity | 874.62085 |
Chemical Identifiers
| CAS Number | 845659-91-8 |
|---|---|
| SMILES | CC1=C(C(C(=O)N1)(C(F)(F)F)NC(=O)C2=CC(=CC=C2)C(F)(F)F)C(=O)OC |
Product Overview
methyl 2-methyl-5-oxo-4-(trifluoromethyl)-4-({[3-(trifluoromethyl)phenyl]carbonyl}amino)-4,5-dihydro-1H-pyrrole-3-carboxylate (CAS 845659-91-8), with molecular formula C16H12F6N2O4 and molecular weight 410.07 g/mol. IUPAC: methyl 2-methyl-5-oxo-4-(trifluoromethyl)-4-[[3-(trifluoromethyl)benzoyl]amino]-1H-pyrrole-3-carboxylate.
Chemical Property Profile of methyl 2-methyl-5-oxo-4-(trifluoromethyl)-4-({[3-(trifluoromethyl)phenyl]carbonyl}amino)-4,5-dihydro-1H-pyrrole-3-carboxylate
Property Insights of methyl 2-methyl-5-oxo-4-(trifluoromethyl)-4-({[3-(trifluoromethyl)phenyl]carbonyl}amino)-4,5-dihydro-1H-pyrrole-3-carboxylate
The XLogP value of 2.3131 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-methyl-5-oxo-4-(trifluoromethyl)-4-({[3-(trifluoromethyl)phenyl]carbonyl}amino)-4,5-dihydro-1H-pyrrole-3-carboxylate. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-methyl-5-oxo-4-(trifluoromethyl)-4-({[3-(trifluoromethyl)phenyl]carbonyl}amino)-4,5-dihydro-1H-pyrrole-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-methyl-5-oxo-4-(trifluoromethyl)-4-({[3-(trifluoromethyl)phenyl]carbonyl}amino)-4,5-dihydro-1H-pyrrole-3-carboxylate 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 methyl 2-methyl-5-oxo-4-(trifluoromethyl)-4-({[3-(trifluoromethyl)phenyl]carbonyl}amino)-4,5-dihydro-1H-pyrrole-3-carboxylate?
The CAS number of methyl 2-methyl-5-oxo-4-(trifluoromethyl)-4-({[3-(trifluoromethyl)phenyl]carbonyl}amino)-4,5-dihydro-1H-pyrrole-3-carboxylate is 845659-91-8.
What is the molecular formula of methyl 2-methyl-5-oxo-4-(trifluoromethyl)-4-({[3-(trifluoromethyl)phenyl]carbonyl}amino)-4,5-dihydro-1H-pyrrole-3-carboxylate?
The molecular formula of methyl 2-methyl-5-oxo-4-(trifluoromethyl)-4-({[3-(trifluoromethyl)phenyl]carbonyl}amino)-4,5-dihydro-1H-pyrrole-3-carboxylate is C16H12F6N2O4.
What is the molecular weight of methyl 2-methyl-5-oxo-4-(trifluoromethyl)-4-({[3-(trifluoromethyl)phenyl]carbonyl}amino)-4,5-dihydro-1H-pyrrole-3-carboxylate?
The molecular weight of methyl 2-methyl-5-oxo-4-(trifluoromethyl)-4-({[3-(trifluoromethyl)phenyl]carbonyl}amino)-4,5-dihydro-1H-pyrrole-3-carboxylate is 410.07 g/mol.
Where can I buy methyl 2-methyl-5-oxo-4-(trifluoromethyl)-4-({[3-(trifluoromethyl)phenyl]carbonyl}amino)-4,5-dihydro-1H-pyrrole-3-carboxylate?
You can request a quote for methyl 2-methyl-5-oxo-4-(trifluoromethyl)-4-({[3-(trifluoromethyl)phenyl]carbonyl}amino)-4,5-dihydro-1H-pyrrole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-methyl-5-oxo-4-(trifluoromethyl)-4-({[3-(trifluoromethyl)phenyl]carbonyl}amino)-4,5-dihydro-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-methyl-5-oxo-4-(trifluoromethyl)-4-({[3-(trifluoromethyl)phenyl]carbonyl}amino)-4,5-dihydro-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.