methyl 4-hydroxy-1-{[3-(trifluoromethyl)anilino]carbonyl}-2-pyrrolidinecarboxylate
TL;DR: methyl 4-hydroxy-1-{[3-(trifluoromethyl)anilino]carbonyl}-2-pyrrolidinecarboxylate (CAS 318247-30-2) is a chemical compound with molecular formula C14H15F3N2O4 and molecular weight 332.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-hydroxy-1-[[3-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-2-carboxylate
Also Known As: methyl 4-hydroxy-1-{[3-(trifluoromethyl)anilino]carbonyl}-2-pyrrolidinecarboxylate, Methyl 4-hydroxy-1-((3-(trifluoromethyl)phenyl)carbamoyl)pyrrolidine-2-carboxylate, Methyl 4-hydroxy-1-{[3-(trifluoromethyl)anilino]-carbonyl}-2-pyrrolidinecarboxylate, methyl 4-hydroxy-1-{[3-(trifluoromethyl)phenyl]carbamoyl}pyrrolidine-2-carboxylate, methyl 4-hydroxy-1-[[3-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-2-carboxylate
| Molecular Formula | C14H15F3N2O4 |
|---|---|
| Molecular Weight | 332.10 g/mol |
| LogP | 1.8455 |
| Topological Polar Surface Area | 78.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 332.0984 |
| Heavy Atoms | 23 |
| Complexity | 605.93036 |
Chemical Identifiers
| CAS Number | 318247-30-2 |
|---|---|
| SMILES | COC(=O)C1CC(CN1C(=O)NC2=CC=CC(=C2)C(F)(F)F)O |
Product Overview
methyl 4-hydroxy-1-{[3-(trifluoromethyl)anilino]carbonyl}-2-pyrrolidinecarboxylate (CAS 318247-30-2), with molecular formula C14H15F3N2O4 and molecular weight 332.10 g/mol. IUPAC: methyl 4-hydroxy-1-[[3-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-2-carboxylate.
Chemical Property Profile of methyl 4-hydroxy-1-{[3-(trifluoromethyl)anilino]carbonyl}-2-pyrrolidinecarboxylate
Property Insights of methyl 4-hydroxy-1-{[3-(trifluoromethyl)anilino]carbonyl}-2-pyrrolidinecarboxylate
The XLogP value of 1.8455 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-hydroxy-1-{[3-(trifluoromethyl)anilino]carbonyl}-2-pyrrolidinecarboxylate. The TPSA of 78.87 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-hydroxy-1-{[3-(trifluoromethyl)anilino]carbonyl}-2-pyrrolidinecarboxylate. Following Lipinski's Rule of Five, methyl 4-hydroxy-1-{[3-(trifluoromethyl)anilino]carbonyl}-2-pyrrolidinecarboxylate 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 4-hydroxy-1-{[3-(trifluoromethyl)anilino]carbonyl}-2-pyrrolidinecarboxylate?
The CAS number of methyl 4-hydroxy-1-{[3-(trifluoromethyl)anilino]carbonyl}-2-pyrrolidinecarboxylate is 318247-30-2.
What is the molecular formula of methyl 4-hydroxy-1-{[3-(trifluoromethyl)anilino]carbonyl}-2-pyrrolidinecarboxylate?
The molecular formula of methyl 4-hydroxy-1-{[3-(trifluoromethyl)anilino]carbonyl}-2-pyrrolidinecarboxylate is C14H15F3N2O4.
What is the molecular weight of methyl 4-hydroxy-1-{[3-(trifluoromethyl)anilino]carbonyl}-2-pyrrolidinecarboxylate?
The molecular weight of methyl 4-hydroxy-1-{[3-(trifluoromethyl)anilino]carbonyl}-2-pyrrolidinecarboxylate is 332.10 g/mol.
Where can I buy methyl 4-hydroxy-1-{[3-(trifluoromethyl)anilino]carbonyl}-2-pyrrolidinecarboxylate?
You can request a quote for methyl 4-hydroxy-1-{[3-(trifluoromethyl)anilino]carbonyl}-2-pyrrolidinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-hydroxy-1-{[3-(trifluoromethyl)anilino]carbonyl}-2-pyrrolidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-hydroxy-1-{[3-(trifluoromethyl)anilino]carbonyl}-2-pyrrolidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.