![methyl 1-(2-thienylsulfonyl)-4-({[3-(trifluoromethyl)benzyl]oxy}imino)-2-pyrrolidinecarboxylate structure](/static/products/1219/1219441-46-9.webp)
methyl 1-(2-thienylsulfonyl)-4-({[3-(trifluoromethyl)benzyl]oxy}imino)-2-pyrrolidinecarboxylate
TL;DR: methyl 1-(2-thienylsulfonyl)-4-({[3-(trifluoromethyl)benzyl]oxy}imino)-2-pyrrolidinecarboxylate (CAS 1219441-46-9) is a chemical compound with molecular formula C18H17F3N2O5S2 and molecular weight 462.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-thiophen-2-ylsulfonyl-4-[[3-(trifluoromethyl)phenyl]methoxyimino]pyrrolidine-2-carboxylate
Also Known As: methyl 1-(2-thienylsulfonyl)-4-({[3-(trifluoromethyl)benzyl]oxy}imino)-2-pyrrolidinecarboxylate, methyl 1-thiophen-2-ylsulfonyl-4-[[3-(trifluoromethyl)phenyl]methoxyimino]pyrrolidine-2-carboxylate
| Molecular Formula | C18H17F3N2O5S2 |
|---|---|
| Molecular Weight | 462.05 g/mol |
| LogP | 3.2757 |
| Topological Polar Surface Area | 85.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 462.0531 |
| Heavy Atoms | 30 |
| Complexity | 1036.3413 |
Chemical Identifiers
| CAS Number | 1219441-46-9 |
|---|---|
| SMILES | COC(=O)C1CC(=NOCC2=CC(=CC=C2)C(F)(F)F)CN1S(=O)(=O)C3=CC=CS3 |
Product Overview
methyl 1-(2-thienylsulfonyl)-4-({[3-(trifluoromethyl)benzyl]oxy}imino)-2-pyrrolidinecarboxylate (CAS 1219441-46-9), with molecular formula C18H17F3N2O5S2 and molecular weight 462.05 g/mol. IUPAC: methyl 1-thiophen-2-ylsulfonyl-4-[[3-(trifluoromethyl)phenyl]methoxyimino]pyrrolidine-2-carboxylate.
Chemical Property Profile of methyl 1-(2-thienylsulfonyl)-4-({[3-(trifluoromethyl)benzyl]oxy}imino)-2-pyrrolidinecarboxylate
Property Insights of methyl 1-(2-thienylsulfonyl)-4-({[3-(trifluoromethyl)benzyl]oxy}imino)-2-pyrrolidinecarboxylate
The XLogP value of 3.2757 indicates that methyl 1-(2-thienylsulfonyl)-4-({[3-(trifluoromethyl)benzyl]oxy}imino)-2-pyrrolidinecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.27 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 1-(2-thienylsulfonyl)-4-({[3-(trifluoromethyl)benzyl]oxy}imino)-2-pyrrolidinecarboxylate. Following Lipinski's Rule of Five, methyl 1-(2-thienylsulfonyl)-4-({[3-(trifluoromethyl)benzyl]oxy}imino)-2-pyrrolidinecarboxylate has 0 hydrogen bond donor(s) and 7 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 1-(2-thienylsulfonyl)-4-({[3-(trifluoromethyl)benzyl]oxy}imino)-2-pyrrolidinecarboxylate?
The CAS number of methyl 1-(2-thienylsulfonyl)-4-({[3-(trifluoromethyl)benzyl]oxy}imino)-2-pyrrolidinecarboxylate is 1219441-46-9.
What is the molecular formula of methyl 1-(2-thienylsulfonyl)-4-({[3-(trifluoromethyl)benzyl]oxy}imino)-2-pyrrolidinecarboxylate?
The molecular formula of methyl 1-(2-thienylsulfonyl)-4-({[3-(trifluoromethyl)benzyl]oxy}imino)-2-pyrrolidinecarboxylate is C18H17F3N2O5S2.
What is the molecular weight of methyl 1-(2-thienylsulfonyl)-4-({[3-(trifluoromethyl)benzyl]oxy}imino)-2-pyrrolidinecarboxylate?
The molecular weight of methyl 1-(2-thienylsulfonyl)-4-({[3-(trifluoromethyl)benzyl]oxy}imino)-2-pyrrolidinecarboxylate is 462.05 g/mol.
Where can I buy methyl 1-(2-thienylsulfonyl)-4-({[3-(trifluoromethyl)benzyl]oxy}imino)-2-pyrrolidinecarboxylate?
You can request a quote for methyl 1-(2-thienylsulfonyl)-4-({[3-(trifluoromethyl)benzyl]oxy}imino)-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 1-(2-thienylsulfonyl)-4-({[3-(trifluoromethyl)benzyl]oxy}imino)-2-pyrrolidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 1-(2-thienylsulfonyl)-4-({[3-(trifluoromethyl)benzyl]oxy}imino)-2-pyrrolidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.