![[4-[[2-ethylhexanoyl(2-methylpropyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate structure](/static/products/5912/5912-36-7.webp)
[4-[[2-ethylhexanoyl(2-methylpropyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate
TL;DR: [4-[[2-ethylhexanoyl(2-methylpropyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate (CAS 5912-36-7) is a chemical compound with molecular formula C26H34F3NO4S and molecular weight 513.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[[2-ethylhexanoyl(2-methylpropyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate
Also Known As: [4-[[2-ethylhexanoyl(2-methylpropyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate|2-ethyl-N-(2-methylpropyl)-N-[[4-[3-(trifluoromethyl)phenyl]sulfonyloxyphenyl]methyl]hexanamide
| Molecular Formula | C26H34F3NO4S |
|---|---|
| Molecular Weight | 513.22 g/mol |
| LogP | 6.6741 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 513.21606 |
| Heavy Atoms | 35 |
| Complexity | 1066.7496 |
Chemical Identifiers
| CAS Number | 5912-36-7 |
|---|---|
| SMILES | CCCCC(CC)C(=O)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)CC(C)C |
Product Overview
[4-[[2-ethylhexanoyl(2-methylpropyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate (CAS 5912-36-7), with molecular formula C26H34F3NO4S and molecular weight 513.22 g/mol. IUPAC: [4-[[2-ethylhexanoyl(2-methylpropyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate.
Chemical Property Profile of [4-[[2-ethylhexanoyl(2-methylpropyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate
Property Insights of [4-[[2-ethylhexanoyl(2-methylpropyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate
The XLogP value of 6.6741 indicates that [4-[[2-ethylhexanoyl(2-methylpropyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-[[2-ethylhexanoyl(2-methylpropyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate. Following Lipinski's Rule of Five, [4-[[2-ethylhexanoyl(2-methylpropyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [4-[[2-ethylhexanoyl(2-methylpropyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate?
The CAS number of [4-[[2-ethylhexanoyl(2-methylpropyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate is 5912-36-7.
What is the molecular formula of [4-[[2-ethylhexanoyl(2-methylpropyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate?
The molecular formula of [4-[[2-ethylhexanoyl(2-methylpropyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate is C26H34F3NO4S.
What is the molecular weight of [4-[[2-ethylhexanoyl(2-methylpropyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate?
The molecular weight of [4-[[2-ethylhexanoyl(2-methylpropyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate is 513.22 g/mol.
Where can I buy [4-[[2-ethylhexanoyl(2-methylpropyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate?
You can request a quote for [4-[[2-ethylhexanoyl(2-methylpropyl)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 [4-[[2-ethylhexanoyl(2-methylpropyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for [4-[[2-ethylhexanoyl(2-methylpropyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.