ethyl 2-acetamido-2-((4-(N-(3,4-dimethylisoxazol-5-yl)sulfamoyl)phenyl)amino)-3,3,3-trifluoropropanoate
TL;DR: ethyl 2-acetamido-2-((4-(N-(3,4-dimethylisoxazol-5-yl)sulfamoyl)phenyl)amino)-3,3,3-trifluoropropanoate (CAS 328069-46-1) is a chemical compound with molecular formula C18H21F3N4O6S and molecular weight 478.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-acetamido-2-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]anilino]-3,3,3-trifluoropropanoate
Also Known As: ethyl 2-acetamido-2-((4-(N-(3,4-dimethylisoxazol-5-yl)sulfamoyl)phenyl)amino)-3,3,3-trifluoropropanoate, ethyl 2-acetamido-2-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]anilino]-3,3,3-trifluoropropanoate, ethyl N-acetyl-2-({4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl}amino)-3,3,3-trifluoroalaninate, ETHYL 2-({4-[(3,4-DIMETHYL-1,2-OXAZOL-5-YL)SULFAMOYL]PHENYL}AMINO)-2-ACETAMIDO-3,3,3-TRIFLUOROPROPANOATE, ethyl 2-(acetylamino)-2-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}anilino)-3,3,3-trifluoropropanoate
| Molecular Formula | C18H21F3N4O6S |
|---|---|
| Molecular Weight | 478.11 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 148.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 478.1134 |
| Heavy Atoms | 32 |
| Complexity | 783.0 |
Chemical Identifiers
| CAS Number | 328069-46-1 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NO2)C)C)NC(=O)C |
| InChIKey | OTGPLNKPMVTJNZ-UHFFFAOYSA-N |
Product Overview
ethyl 2-acetamido-2-((4-(N-(3,4-dimethylisoxazol-5-yl)sulfamoyl)phenyl)amino)-3,3,3-trifluoropropanoate (CAS 328069-46-1), with molecular formula C18H21F3N4O6S and molecular weight 478.11 g/mol. IUPAC: ethyl 2-acetamido-2-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]anilino]-3,3,3-trifluoropropanoate.
Chemical Property Profile of ethyl 2-acetamido-2-((4-(N-(3,4-dimethylisoxazol-5-yl)sulfamoyl)phenyl)amino)-3,3,3-trifluoropropanoate
Property Insights of ethyl 2-acetamido-2-((4-(N-(3,4-dimethylisoxazol-5-yl)sulfamoyl)phenyl)amino)-3,3,3-trifluoropropanoate
The XLogP value of 3.2 indicates that ethyl 2-acetamido-2-((4-(N-(3,4-dimethylisoxazol-5-yl)sulfamoyl)phenyl)amino)-3,3,3-trifluoropropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 148.0 Ų indicates high polarity, suggesting ethyl 2-acetamido-2-((4-(N-(3,4-dimethylisoxazol-5-yl)sulfamoyl)phenyl)amino)-3,3,3-trifluoropropanoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethyl 2-acetamido-2-((4-(N-(3,4-dimethylisoxazol-5-yl)sulfamoyl)phenyl)amino)-3,3,3-trifluoropropanoate has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2-acetamido-2-((4-(N-(3,4-dimethylisoxazol-5-yl)sulfamoyl)phenyl)amino)-3,3,3-trifluoropropanoate?
The CAS number of ethyl 2-acetamido-2-((4-(N-(3,4-dimethylisoxazol-5-yl)sulfamoyl)phenyl)amino)-3,3,3-trifluoropropanoate is 328069-46-1.
What is the molecular formula of ethyl 2-acetamido-2-((4-(N-(3,4-dimethylisoxazol-5-yl)sulfamoyl)phenyl)amino)-3,3,3-trifluoropropanoate?
The molecular formula of ethyl 2-acetamido-2-((4-(N-(3,4-dimethylisoxazol-5-yl)sulfamoyl)phenyl)amino)-3,3,3-trifluoropropanoate is C18H21F3N4O6S.
What is the molecular weight of ethyl 2-acetamido-2-((4-(N-(3,4-dimethylisoxazol-5-yl)sulfamoyl)phenyl)amino)-3,3,3-trifluoropropanoate?
The molecular weight of ethyl 2-acetamido-2-((4-(N-(3,4-dimethylisoxazol-5-yl)sulfamoyl)phenyl)amino)-3,3,3-trifluoropropanoate is 478.11 g/mol.
Where can I buy ethyl 2-acetamido-2-((4-(N-(3,4-dimethylisoxazol-5-yl)sulfamoyl)phenyl)amino)-3,3,3-trifluoropropanoate?
You can request a quote for ethyl 2-acetamido-2-((4-(N-(3,4-dimethylisoxazol-5-yl)sulfamoyl)phenyl)amino)-3,3,3-trifluoropropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-acetamido-2-((4-(N-(3,4-dimethylisoxazol-5-yl)sulfamoyl)phenyl)amino)-3,3,3-trifluoropropanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-acetamido-2-((4-(N-(3,4-dimethylisoxazol-5-yl)sulfamoyl)phenyl)amino)-3,3,3-trifluoropropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.