![ethyl N-(ethoxycarbonyl)-3,3,3-trifluoro-2-[(4-sulfamoylphenyl)amino]alaninate structure](/static/products/369/369603-35-0.png)
ethyl N-(ethoxycarbonyl)-3,3,3-trifluoro-2-[(4-sulfamoylphenyl)amino]alaninate
TL;DR: ethyl N-(ethoxycarbonyl)-3,3,3-trifluoro-2-[(4-sulfamoylphenyl)amino]alaninate (CAS 369603-35-0) is a chemical compound with molecular formula C14H18F3N3O6S and molecular weight 413.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-(4-sulfamoylanilino)propanoate
Also Known As: BRD-A62716005-001-07-3, ethyl N-(ethoxycarbonyl)-3,3,3-trifluoro-2-[(4-sulfamoylphenyl)amino]alaninate, ethyl 2-((ethoxycarbonyl)amino)-3,3,3-trifluoro-2-((4-sulfamoylphenyl)amino)propanoate, ethyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-(4-sulfamoylanilino)propanoate
| Molecular Formula | C14H18F3N3O6S |
|---|---|
| Molecular Weight | 413.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 413.08685 |
| Heavy Atoms | 27 |
| Complexity | 629.0 |
Chemical Identifiers
| CAS Number | 369603-35-0 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)S(=O)(=O)N)NC(=O)OCC |
| InChIKey | JBYVNNYGDURHMN-UHFFFAOYSA-N |
Product Overview
ethyl N-(ethoxycarbonyl)-3,3,3-trifluoro-2-[(4-sulfamoylphenyl)amino]alaninate (CAS 369603-35-0), with molecular formula C14H18F3N3O6S and molecular weight 413.09 g/mol. IUPAC: ethyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-(4-sulfamoylanilino)propanoate.
Chemical Property Profile of ethyl N-(ethoxycarbonyl)-3,3,3-trifluoro-2-[(4-sulfamoylphenyl)amino]alaninate
Property Insights of ethyl N-(ethoxycarbonyl)-3,3,3-trifluoro-2-[(4-sulfamoylphenyl)amino]alaninate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl N-(ethoxycarbonyl)-3,3,3-trifluoro-2-[(4-sulfamoylphenyl)amino]alaninate. The TPSA of 145.0 Ų indicates high polarity, suggesting ethyl N-(ethoxycarbonyl)-3,3,3-trifluoro-2-[(4-sulfamoylphenyl)amino]alaninate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethyl N-(ethoxycarbonyl)-3,3,3-trifluoro-2-[(4-sulfamoylphenyl)amino]alaninate has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl N-(ethoxycarbonyl)-3,3,3-trifluoro-2-[(4-sulfamoylphenyl)amino]alaninate?
The CAS number of ethyl N-(ethoxycarbonyl)-3,3,3-trifluoro-2-[(4-sulfamoylphenyl)amino]alaninate is 369603-35-0.
What is the molecular formula of ethyl N-(ethoxycarbonyl)-3,3,3-trifluoro-2-[(4-sulfamoylphenyl)amino]alaninate?
The molecular formula of ethyl N-(ethoxycarbonyl)-3,3,3-trifluoro-2-[(4-sulfamoylphenyl)amino]alaninate is C14H18F3N3O6S.
What is the molecular weight of ethyl N-(ethoxycarbonyl)-3,3,3-trifluoro-2-[(4-sulfamoylphenyl)amino]alaninate?
The molecular weight of ethyl N-(ethoxycarbonyl)-3,3,3-trifluoro-2-[(4-sulfamoylphenyl)amino]alaninate is 413.09 g/mol.
Where can I buy ethyl N-(ethoxycarbonyl)-3,3,3-trifluoro-2-[(4-sulfamoylphenyl)amino]alaninate?
You can request a quote for ethyl N-(ethoxycarbonyl)-3,3,3-trifluoro-2-[(4-sulfamoylphenyl)amino]alaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl N-(ethoxycarbonyl)-3,3,3-trifluoro-2-[(4-sulfamoylphenyl)amino]alaninate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-(ethoxycarbonyl)-3,3,3-trifluoro-2-[(4-sulfamoylphenyl)amino]alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.