ethyl 4-((3-ethoxy-1,1,1-trifluoro-3-oxo-2-(phenylsulfonamido)propan-2-yl)amino)benzoate
TL;DR: ethyl 4-((3-ethoxy-1,1,1-trifluoro-3-oxo-2-(phenylsulfonamido)propan-2-yl)amino)benzoate (CAS 371780-97-1) is a chemical compound with molecular formula C20H21F3N2O6S and molecular weight 474.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-(benzenesulfonamido)-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl]amino]benzoate
Also Known As: ethyl 4-((3-ethoxy-1,1,1-trifluoro-3-oxo-2-(phenylsulfonamido)propan-2-yl)amino)benzoate, ethyl 4-[[2-(benzenesulfonamido)-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl]amino]benzoate, ethyl 4-({3-ethoxy-1,1,1-trifluoro-3-oxo-2-[(phenylsulfonyl)amino]propan-2-yl}amino)benzoate
| Molecular Formula | C20H21F3N2O6S |
|---|---|
| Molecular Weight | 474.11 g/mol |
| LogP | 3.0754 |
| Topological Polar Surface Area | 110.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 474.10724 |
| Heavy Atoms | 32 |
| Complexity | 1043.2548 |
Chemical Identifiers
| CAS Number | 371780-97-1 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(C(=O)OCC)(C(F)(F)F)NS(=O)(=O)C2=CC=CC=C2 |
Product Overview
ethyl 4-((3-ethoxy-1,1,1-trifluoro-3-oxo-2-(phenylsulfonamido)propan-2-yl)amino)benzoate (CAS 371780-97-1), with molecular formula C20H21F3N2O6S and molecular weight 474.11 g/mol. IUPAC: ethyl 4-[[2-(benzenesulfonamido)-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl]amino]benzoate.
Chemical Property Profile of ethyl 4-((3-ethoxy-1,1,1-trifluoro-3-oxo-2-(phenylsulfonamido)propan-2-yl)amino)benzoate
Property Insights of ethyl 4-((3-ethoxy-1,1,1-trifluoro-3-oxo-2-(phenylsulfonamido)propan-2-yl)amino)benzoate
The XLogP value of 3.0754 indicates that ethyl 4-((3-ethoxy-1,1,1-trifluoro-3-oxo-2-(phenylsulfonamido)propan-2-yl)amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.8 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-((3-ethoxy-1,1,1-trifluoro-3-oxo-2-(phenylsulfonamido)propan-2-yl)amino)benzoate. Following Lipinski's Rule of Five, ethyl 4-((3-ethoxy-1,1,1-trifluoro-3-oxo-2-(phenylsulfonamido)propan-2-yl)amino)benzoate has 2 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 ethyl 4-((3-ethoxy-1,1,1-trifluoro-3-oxo-2-(phenylsulfonamido)propan-2-yl)amino)benzoate?
The CAS number of ethyl 4-((3-ethoxy-1,1,1-trifluoro-3-oxo-2-(phenylsulfonamido)propan-2-yl)amino)benzoate is 371780-97-1.
What is the molecular formula of ethyl 4-((3-ethoxy-1,1,1-trifluoro-3-oxo-2-(phenylsulfonamido)propan-2-yl)amino)benzoate?
The molecular formula of ethyl 4-((3-ethoxy-1,1,1-trifluoro-3-oxo-2-(phenylsulfonamido)propan-2-yl)amino)benzoate is C20H21F3N2O6S.
What is the molecular weight of ethyl 4-((3-ethoxy-1,1,1-trifluoro-3-oxo-2-(phenylsulfonamido)propan-2-yl)amino)benzoate?
The molecular weight of ethyl 4-((3-ethoxy-1,1,1-trifluoro-3-oxo-2-(phenylsulfonamido)propan-2-yl)amino)benzoate is 474.11 g/mol.
Where can I buy ethyl 4-((3-ethoxy-1,1,1-trifluoro-3-oxo-2-(phenylsulfonamido)propan-2-yl)amino)benzoate?
You can request a quote for ethyl 4-((3-ethoxy-1,1,1-trifluoro-3-oxo-2-(phenylsulfonamido)propan-2-yl)amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-((3-ethoxy-1,1,1-trifluoro-3-oxo-2-(phenylsulfonamido)propan-2-yl)amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-((3-ethoxy-1,1,1-trifluoro-3-oxo-2-(phenylsulfonamido)propan-2-yl)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.