![[(2,2,2-Trifluoroethyl)carbamoyl]methyl 3-(2-phenylethenesulfonamido)benzoate structure](/static/products/848/848854-72-8.png)
[(2,2,2-Trifluoroethyl)carbamoyl]methyl 3-(2-phenylethenesulfonamido)benzoate
TL;DR: [(2,2,2-Trifluoroethyl)carbamoyl]methyl 3-(2-phenylethenesulfonamido)benzoate (CAS 848854-72-8) is a chemical compound with molecular formula C19H17F3N2O5S and molecular weight 442.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate
Also Known As: AB00740158-01, [(2,2,2-trifluoroethyl)carbamoyl]methyl 3-(2-phenylethenesulfonamido)benzoate, 2,2,2-trifluoroethylcarbamoylmethyl 3-(2-phenylethenylsulfonylamino)benzoate, [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate
| Molecular Formula | C19H17F3N2O5S |
|---|---|
| Molecular Weight | 442.08 g/mol |
| LogP | 2.9345 |
| Topological Polar Surface Area | 101.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 442.08102 |
| Heavy Atoms | 30 |
| Complexity | 1021.96545 |
Chemical Identifiers
| CAS Number | 848854-72-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/S(=O)(=O)NC2=CC=CC(=C2)C(=O)OCC(=O)NCC(F)(F)F |
Product Overview
[(2,2,2-Trifluoroethyl)carbamoyl]methyl 3-(2-phenylethenesulfonamido)benzoate (CAS 848854-72-8), with molecular formula C19H17F3N2O5S and molecular weight 442.08 g/mol. IUPAC: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate.
Chemical Property Profile of [(2,2,2-Trifluoroethyl)carbamoyl]methyl 3-(2-phenylethenesulfonamido)benzoate
Property Insights of [(2,2,2-Trifluoroethyl)carbamoyl]methyl 3-(2-phenylethenesulfonamido)benzoate
The XLogP value of 2.9345 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(2,2,2-Trifluoroethyl)carbamoyl]methyl 3-(2-phenylethenesulfonamido)benzoate. The TPSA of 101.57 Ų falls within the moderate polarity range, balancing permeability and solubility for [(2,2,2-Trifluoroethyl)carbamoyl]methyl 3-(2-phenylethenesulfonamido)benzoate. Following Lipinski's Rule of Five, [(2,2,2-Trifluoroethyl)carbamoyl]methyl 3-(2-phenylethenesulfonamido)benzoate has 2 hydrogen bond donor(s) and 5 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 [(2,2,2-Trifluoroethyl)carbamoyl]methyl 3-(2-phenylethenesulfonamido)benzoate?
The CAS number of [(2,2,2-Trifluoroethyl)carbamoyl]methyl 3-(2-phenylethenesulfonamido)benzoate is 848854-72-8.
What is the molecular formula of [(2,2,2-Trifluoroethyl)carbamoyl]methyl 3-(2-phenylethenesulfonamido)benzoate?
The molecular formula of [(2,2,2-Trifluoroethyl)carbamoyl]methyl 3-(2-phenylethenesulfonamido)benzoate is C19H17F3N2O5S.
What is the molecular weight of [(2,2,2-Trifluoroethyl)carbamoyl]methyl 3-(2-phenylethenesulfonamido)benzoate?
The molecular weight of [(2,2,2-Trifluoroethyl)carbamoyl]methyl 3-(2-phenylethenesulfonamido)benzoate is 442.08 g/mol.
Where can I buy [(2,2,2-Trifluoroethyl)carbamoyl]methyl 3-(2-phenylethenesulfonamido)benzoate?
You can request a quote for [(2,2,2-Trifluoroethyl)carbamoyl]methyl 3-(2-phenylethenesulfonamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(2,2,2-Trifluoroethyl)carbamoyl]methyl 3-(2-phenylethenesulfonamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for [(2,2,2-Trifluoroethyl)carbamoyl]methyl 3-(2-phenylethenesulfonamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.