![3-[[(2-Methoxyethyl)(2-methyl-1-oxopropyl)amino]methyl]phenyl 3-(trifluoromethyl)benzenesulfonate structure](/static/products/853/853097-50-4.png)
3-[[(2-Methoxyethyl)(2-methyl-1-oxopropyl)amino]methyl]phenyl 3-(trifluoromethyl)benzenesulfonate
TL;DR: 3-[[(2-Methoxyethyl)(2-methyl-1-oxopropyl)amino]methyl]phenyl 3-(trifluoromethyl)benzenesulfonate (CAS 853097-50-4) is a chemical compound with molecular formula C21H24F3NO5S and molecular weight 459.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[[2-methoxyethyl(2-methylpropanoyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate
Also Known As: 3-[[(2-Methoxyethyl)(2-methyl-1-oxopropyl)amino]methyl]phenyl 3-(trifluoromethyl)benzenesulfonate, [3-[[2-methoxyethyl(2-methylpropanoyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate, 3-{[(2-Methoxyethyl)(2-methylpropanoyl)amino]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate, 3-{[N-(2-METHOXYETHYL)-2-METHYLPROPANAMIDO]METHYL}PHENYL 3-(TRIFLUOROMETHYL)BENZENE-1-SULFONATE, N-(2-methoxyethyl)-2-methyl-N-[[3-[3-(trifluoromethyl)phenyl]sulfonyloxyphenyl]methyl]propanamide
| Molecular Formula | C21H24F3NO5S |
|---|---|
| Molecular Weight | 459.13 g/mol |
| LogP | 4.1041 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 459.13272 |
| Heavy Atoms | 31 |
| Complexity | 1006.06995 |
Chemical Identifiers
| CAS Number | 853097-50-4 |
|---|---|
| SMILES | CC(C)C(=O)N(CCOC)CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F |
Product Overview
3-[[(2-Methoxyethyl)(2-methyl-1-oxopropyl)amino]methyl]phenyl 3-(trifluoromethyl)benzenesulfonate (CAS 853097-50-4), with molecular formula C21H24F3NO5S and molecular weight 459.13 g/mol. IUPAC: [3-[[2-methoxyethyl(2-methylpropanoyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate.
Chemical Property Profile of 3-[[(2-Methoxyethyl)(2-methyl-1-oxopropyl)amino]methyl]phenyl 3-(trifluoromethyl)benzenesulfonate
Property Insights of 3-[[(2-Methoxyethyl)(2-methyl-1-oxopropyl)amino]methyl]phenyl 3-(trifluoromethyl)benzenesulfonate
The XLogP value of 4.1041 indicates that 3-[[(2-Methoxyethyl)(2-methyl-1-oxopropyl)amino]methyl]phenyl 3-(trifluoromethyl)benzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[[(2-Methoxyethyl)(2-methyl-1-oxopropyl)amino]methyl]phenyl 3-(trifluoromethyl)benzenesulfonate. Following Lipinski's Rule of Five, 3-[[(2-Methoxyethyl)(2-methyl-1-oxopropyl)amino]methyl]phenyl 3-(trifluoromethyl)benzenesulfonate has 0 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 3-[[(2-Methoxyethyl)(2-methyl-1-oxopropyl)amino]methyl]phenyl 3-(trifluoromethyl)benzenesulfonate?
The CAS number of 3-[[(2-Methoxyethyl)(2-methyl-1-oxopropyl)amino]methyl]phenyl 3-(trifluoromethyl)benzenesulfonate is 853097-50-4.
What is the molecular formula of 3-[[(2-Methoxyethyl)(2-methyl-1-oxopropyl)amino]methyl]phenyl 3-(trifluoromethyl)benzenesulfonate?
The molecular formula of 3-[[(2-Methoxyethyl)(2-methyl-1-oxopropyl)amino]methyl]phenyl 3-(trifluoromethyl)benzenesulfonate is C21H24F3NO5S.
What is the molecular weight of 3-[[(2-Methoxyethyl)(2-methyl-1-oxopropyl)amino]methyl]phenyl 3-(trifluoromethyl)benzenesulfonate?
The molecular weight of 3-[[(2-Methoxyethyl)(2-methyl-1-oxopropyl)amino]methyl]phenyl 3-(trifluoromethyl)benzenesulfonate is 459.13 g/mol.
Where can I buy 3-[[(2-Methoxyethyl)(2-methyl-1-oxopropyl)amino]methyl]phenyl 3-(trifluoromethyl)benzenesulfonate?
You can request a quote for 3-[[(2-Methoxyethyl)(2-methyl-1-oxopropyl)amino]methyl]phenyl 3-(trifluoromethyl)benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[[(2-Methoxyethyl)(2-methyl-1-oxopropyl)amino]methyl]phenyl 3-(trifluoromethyl)benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 3-[[(2-Methoxyethyl)(2-methyl-1-oxopropyl)amino]methyl]phenyl 3-(trifluoromethyl)benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.