methyl 4-((3-ethoxy-1,1,1-trifluoro-3-oxo-2-(phenylsulfonamido)propan-2-yl)amino)benzoate
TL;DR: methyl 4-((3-ethoxy-1,1,1-trifluoro-3-oxo-2-(phenylsulfonamido)propan-2-yl)amino)benzoate (CAS 330180-57-9) is a chemical compound with molecular formula C19H19F3N2O6S and molecular weight 460.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-(benzenesulfonamido)-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl]amino]benzoate
Also Known As: methyl 4-((3-ethoxy-1,1,1-trifluoro-3-oxo-2-(phenylsulfonamido)propan-2-yl)amino)benzoate, methyl 4-[[2-(benzenesulfonamido)-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl]amino]benzoate, methyl 4-({3-ethoxy-1,1,1-trifluoro-3-oxo-2-[(phenylsulfonyl)amino]propan-2-yl}amino)benzoate
| Molecular Formula | C19H19F3N2O6S |
|---|---|
| Molecular Weight | 460.09 g/mol |
| LogP | 2.6853 |
| Topological Polar Surface Area | 110.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 460.09158 |
| Heavy Atoms | 31 |
| Complexity | 1026.8586 |
Chemical Identifiers
| CAS Number | 330180-57-9 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)C(=O)OC)NS(=O)(=O)C2=CC=CC=C2 |
Product Overview
methyl 4-((3-ethoxy-1,1,1-trifluoro-3-oxo-2-(phenylsulfonamido)propan-2-yl)amino)benzoate (CAS 330180-57-9), with molecular formula C19H19F3N2O6S and molecular weight 460.09 g/mol. IUPAC: methyl 4-[[2-(benzenesulfonamido)-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl]amino]benzoate.
Chemical Property Profile of methyl 4-((3-ethoxy-1,1,1-trifluoro-3-oxo-2-(phenylsulfonamido)propan-2-yl)amino)benzoate
Property Insights of methyl 4-((3-ethoxy-1,1,1-trifluoro-3-oxo-2-(phenylsulfonamido)propan-2-yl)amino)benzoate
The XLogP value of 2.6853 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-((3-ethoxy-1,1,1-trifluoro-3-oxo-2-(phenylsulfonamido)propan-2-yl)amino)benzoate. The TPSA of 110.8 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-((3-ethoxy-1,1,1-trifluoro-3-oxo-2-(phenylsulfonamido)propan-2-yl)amino)benzoate. Following Lipinski's Rule of Five, methyl 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 methyl 4-((3-ethoxy-1,1,1-trifluoro-3-oxo-2-(phenylsulfonamido)propan-2-yl)amino)benzoate?
The CAS number of methyl 4-((3-ethoxy-1,1,1-trifluoro-3-oxo-2-(phenylsulfonamido)propan-2-yl)amino)benzoate is 330180-57-9.
What is the molecular formula of methyl 4-((3-ethoxy-1,1,1-trifluoro-3-oxo-2-(phenylsulfonamido)propan-2-yl)amino)benzoate?
The molecular formula of methyl 4-((3-ethoxy-1,1,1-trifluoro-3-oxo-2-(phenylsulfonamido)propan-2-yl)amino)benzoate is C19H19F3N2O6S.
What is the molecular weight of methyl 4-((3-ethoxy-1,1,1-trifluoro-3-oxo-2-(phenylsulfonamido)propan-2-yl)amino)benzoate?
The molecular weight of methyl 4-((3-ethoxy-1,1,1-trifluoro-3-oxo-2-(phenylsulfonamido)propan-2-yl)amino)benzoate is 460.09 g/mol.
Where can I buy methyl 4-((3-ethoxy-1,1,1-trifluoro-3-oxo-2-(phenylsulfonamido)propan-2-yl)amino)benzoate?
You can request a quote for methyl 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 methyl 4-((3-ethoxy-1,1,1-trifluoro-3-oxo-2-(phenylsulfonamido)propan-2-yl)amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 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.