![3-[[(2-Chlorobenzoyl)(2-methoxyethyl)amino]methyl]phenyl 3-(trifluoromethyl)benzenesulfonate structure](/static/products/853/853097-48-0.png)
3-[[(2-Chlorobenzoyl)(2-methoxyethyl)amino]methyl]phenyl 3-(trifluoromethyl)benzenesulfonate
TL;DR: 3-[[(2-Chlorobenzoyl)(2-methoxyethyl)amino]methyl]phenyl 3-(trifluoromethyl)benzenesulfonate (CAS 853097-48-0) is a chemical compound with molecular formula C24H21ClF3NO5S and molecular weight 527.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[[(2-chlorobenzoyl)-(2-methoxyethyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate
Also Known As: 3-[[(2-Chlorobenzoyl)(2-methoxyethyl)amino]methyl]phenyl 3-(trifluoromethyl)benzenesulfonate, [3-[[(2-chlorobenzoyl)-(2-methoxyethyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate, 2-chloro-N-(2-methoxyethyl)-N-[[3-[3-(trifluoromethyl)phenyl]sulfonyloxyphenyl]methyl]benzamide, 3-{[(2-Chlorobenzoyl)(2-methoxyethyl)amino]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate, 3-{[1-(2-CHLOROPHENYL)-N-(2-METHOXYETHYL)FORMAMIDO]METHYL}PHENYL 3-(TRIFLUOROMETHYL)BENZENE-1-SULFONATE
| Molecular Formula | C24H21ClF3NO5S |
|---|---|
| Molecular Weight | 527.08 g/mol |
| LogP | 5.4153 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 527.0781 |
| Heavy Atoms | 35 |
| Complexity | 1298.0671 |
Chemical Identifiers
| CAS Number | 853097-48-0 |
|---|---|
| SMILES | COCCN(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=CC=CC=C3Cl |
Product Overview
3-[[(2-Chlorobenzoyl)(2-methoxyethyl)amino]methyl]phenyl 3-(trifluoromethyl)benzenesulfonate (CAS 853097-48-0), with molecular formula C24H21ClF3NO5S and molecular weight 527.08 g/mol. IUPAC: [3-[[(2-chlorobenzoyl)-(2-methoxyethyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate.
Chemical Property Profile of 3-[[(2-Chlorobenzoyl)(2-methoxyethyl)amino]methyl]phenyl 3-(trifluoromethyl)benzenesulfonate
Property Insights of 3-[[(2-Chlorobenzoyl)(2-methoxyethyl)amino]methyl]phenyl 3-(trifluoromethyl)benzenesulfonate
The XLogP value of 5.4153 indicates that 3-[[(2-Chlorobenzoyl)(2-methoxyethyl)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-Chlorobenzoyl)(2-methoxyethyl)amino]methyl]phenyl 3-(trifluoromethyl)benzenesulfonate. Following Lipinski's Rule of Five, 3-[[(2-Chlorobenzoyl)(2-methoxyethyl)amino]methyl]phenyl 3-(trifluoromethyl)benzenesulfonate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[[(2-Chlorobenzoyl)(2-methoxyethyl)amino]methyl]phenyl 3-(trifluoromethyl)benzenesulfonate?
The CAS number of 3-[[(2-Chlorobenzoyl)(2-methoxyethyl)amino]methyl]phenyl 3-(trifluoromethyl)benzenesulfonate is 853097-48-0.
What is the molecular formula of 3-[[(2-Chlorobenzoyl)(2-methoxyethyl)amino]methyl]phenyl 3-(trifluoromethyl)benzenesulfonate?
The molecular formula of 3-[[(2-Chlorobenzoyl)(2-methoxyethyl)amino]methyl]phenyl 3-(trifluoromethyl)benzenesulfonate is C24H21ClF3NO5S.
What is the molecular weight of 3-[[(2-Chlorobenzoyl)(2-methoxyethyl)amino]methyl]phenyl 3-(trifluoromethyl)benzenesulfonate?
The molecular weight of 3-[[(2-Chlorobenzoyl)(2-methoxyethyl)amino]methyl]phenyl 3-(trifluoromethyl)benzenesulfonate is 527.08 g/mol.
Where can I buy 3-[[(2-Chlorobenzoyl)(2-methoxyethyl)amino]methyl]phenyl 3-(trifluoromethyl)benzenesulfonate?
You can request a quote for 3-[[(2-Chlorobenzoyl)(2-methoxyethyl)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-Chlorobenzoyl)(2-methoxyethyl)amino]methyl]phenyl 3-(trifluoromethyl)benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 3-[[(2-Chlorobenzoyl)(2-methoxyethyl)amino]methyl]phenyl 3-(trifluoromethyl)benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.