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methyl 4-(2,5-dioxo-3-{[4-(trifluoromethoxy)benzyl]amino}pyrrolidin-1-yl)benzoate
TL;DR: methyl 4-(2,5-dioxo-3-{[4-(trifluoromethoxy)benzyl]amino}pyrrolidin-1-yl)benzoate (CAS 1022922-29-7) is a chemical compound with molecular formula C20H17F3N2O5 and molecular weight 422.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[2,5-dioxo-3-[[4-(trifluoromethoxy)phenyl]methylamino]pyrrolidin-1-yl]benzoate
Also Known As: methyl 4-(2,5-dioxo-3-{[4-(trifluoromethoxy)benzyl]amino}pyrrolidin-1-yl)benzoate, Methyl 4-[2,5-dioxo-3-[[4-(trifluoromethoxy)phenyl]methylamino]pyrrolidin-1-yl]benzoate, methyl 4-(2,5-dioxo-3-((4-(trifluoromethoxy)benzyl)amino)pyrrolidin-1-yl)benzoate
| Molecular Formula | C20H17F3N2O5 |
|---|---|
| Molecular Weight | 422.11 g/mol |
| LogP | 2.7935 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 422.10895 |
| Heavy Atoms | 30 |
| Complexity | 942.4094 |
Chemical Identifiers
| CAS Number | 1022922-29-7 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)NCC3=CC=C(C=C3)OC(F)(F)F |
Product Overview
methyl 4-(2,5-dioxo-3-{[4-(trifluoromethoxy)benzyl]amino}pyrrolidin-1-yl)benzoate (CAS 1022922-29-7), with molecular formula C20H17F3N2O5 and molecular weight 422.11 g/mol. IUPAC: methyl 4-[2,5-dioxo-3-[[4-(trifluoromethoxy)phenyl]methylamino]pyrrolidin-1-yl]benzoate.
Chemical Property Profile of methyl 4-(2,5-dioxo-3-{[4-(trifluoromethoxy)benzyl]amino}pyrrolidin-1-yl)benzoate
Property Insights of methyl 4-(2,5-dioxo-3-{[4-(trifluoromethoxy)benzyl]amino}pyrrolidin-1-yl)benzoate
The XLogP value of 2.7935 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-(2,5-dioxo-3-{[4-(trifluoromethoxy)benzyl]amino}pyrrolidin-1-yl)benzoate. The TPSA of 84.94 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(2,5-dioxo-3-{[4-(trifluoromethoxy)benzyl]amino}pyrrolidin-1-yl)benzoate. Following Lipinski's Rule of Five, methyl 4-(2,5-dioxo-3-{[4-(trifluoromethoxy)benzyl]amino}pyrrolidin-1-yl)benzoate has 1 hydrogen bond donor(s) and 6 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 4-(2,5-dioxo-3-{[4-(trifluoromethoxy)benzyl]amino}pyrrolidin-1-yl)benzoate?
The CAS number of methyl 4-(2,5-dioxo-3-{[4-(trifluoromethoxy)benzyl]amino}pyrrolidin-1-yl)benzoate is 1022922-29-7.
What is the molecular formula of methyl 4-(2,5-dioxo-3-{[4-(trifluoromethoxy)benzyl]amino}pyrrolidin-1-yl)benzoate?
The molecular formula of methyl 4-(2,5-dioxo-3-{[4-(trifluoromethoxy)benzyl]amino}pyrrolidin-1-yl)benzoate is C20H17F3N2O5.
What is the molecular weight of methyl 4-(2,5-dioxo-3-{[4-(trifluoromethoxy)benzyl]amino}pyrrolidin-1-yl)benzoate?
The molecular weight of methyl 4-(2,5-dioxo-3-{[4-(trifluoromethoxy)benzyl]amino}pyrrolidin-1-yl)benzoate is 422.11 g/mol.
Where can I buy methyl 4-(2,5-dioxo-3-{[4-(trifluoromethoxy)benzyl]amino}pyrrolidin-1-yl)benzoate?
You can request a quote for methyl 4-(2,5-dioxo-3-{[4-(trifluoromethoxy)benzyl]amino}pyrrolidin-1-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-(2,5-dioxo-3-{[4-(trifluoromethoxy)benzyl]amino}pyrrolidin-1-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(2,5-dioxo-3-{[4-(trifluoromethoxy)benzyl]amino}pyrrolidin-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.