tert-Butyl (2-((2-(3-tosylureido)-4-(trifluoromethyl)phenyl)amino)ethyl)carbamate
TL;DR: tert-Butyl (2-((2-(3-tosylureido)-4-(trifluoromethyl)phenyl)amino)ethyl)carbamate (CAS 215655-22-4) is a chemical compound with molecular formula C22H27F3N4O5S and molecular weight 516.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[2-[2-[(4-methylphenyl)sulfonylcarbamoylamino]-4-(trifluoromethyl)anilino]ethyl]carbamate
Also Known As: tert-Butyl (2-((2-(3-tosylureido)-4-(trifluoromethyl)phenyl)amino)ethyl)carbamate, tert-Butyl(2-((2-(3-tosylureido)-4-(trifluoromethyl)phenyl)amino)ethyl)carbamate, tert-butyl N-[2-[2-[(4-methylphenyl)sulfonylcarbamoylamino]-4-(trifluoromethyl)anilino]ethyl]carbamate
| Molecular Formula | C22H27F3N4O5S |
|---|---|
| Molecular Weight | 516.17 g/mol |
| LogP | 4.46082 |
| Topological Polar Surface Area | 125.63 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 516.1654 |
| Heavy Atoms | 35 |
| Complexity | 1161.0941 |
Chemical Identifiers
| CAS Number | 215655-22-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=C(C=CC(=C2)C(F)(F)F)NCCNC(=O)OC(C)(C)C |
Product Overview
tert-Butyl (2-((2-(3-tosylureido)-4-(trifluoromethyl)phenyl)amino)ethyl)carbamate (CAS 215655-22-4), with molecular formula C22H27F3N4O5S and molecular weight 516.17 g/mol. IUPAC: tert-butyl N-[2-[2-[(4-methylphenyl)sulfonylcarbamoylamino]-4-(trifluoromethyl)anilino]ethyl]carbamate.
Chemical Property Profile of tert-Butyl (2-((2-(3-tosylureido)-4-(trifluoromethyl)phenyl)amino)ethyl)carbamate
Property Insights of tert-Butyl (2-((2-(3-tosylureido)-4-(trifluoromethyl)phenyl)amino)ethyl)carbamate
The XLogP value of 4.46082 indicates that tert-Butyl (2-((2-(3-tosylureido)-4-(trifluoromethyl)phenyl)amino)ethyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.63 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-Butyl (2-((2-(3-tosylureido)-4-(trifluoromethyl)phenyl)amino)ethyl)carbamate. Following Lipinski's Rule of Five, tert-Butyl (2-((2-(3-tosylureido)-4-(trifluoromethyl)phenyl)amino)ethyl)carbamate has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of tert-Butyl (2-((2-(3-tosylureido)-4-(trifluoromethyl)phenyl)amino)ethyl)carbamate?
The CAS number of tert-Butyl (2-((2-(3-tosylureido)-4-(trifluoromethyl)phenyl)amino)ethyl)carbamate is 215655-22-4.
What is the molecular formula of tert-Butyl (2-((2-(3-tosylureido)-4-(trifluoromethyl)phenyl)amino)ethyl)carbamate?
The molecular formula of tert-Butyl (2-((2-(3-tosylureido)-4-(trifluoromethyl)phenyl)amino)ethyl)carbamate is C22H27F3N4O5S.
What is the molecular weight of tert-Butyl (2-((2-(3-tosylureido)-4-(trifluoromethyl)phenyl)amino)ethyl)carbamate?
The molecular weight of tert-Butyl (2-((2-(3-tosylureido)-4-(trifluoromethyl)phenyl)amino)ethyl)carbamate is 516.17 g/mol.
Where can I buy tert-Butyl (2-((2-(3-tosylureido)-4-(trifluoromethyl)phenyl)amino)ethyl)carbamate?
You can request a quote for tert-Butyl (2-((2-(3-tosylureido)-4-(trifluoromethyl)phenyl)amino)ethyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl (2-((2-(3-tosylureido)-4-(trifluoromethyl)phenyl)amino)ethyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl (2-((2-(3-tosylureido)-4-(trifluoromethyl)phenyl)amino)ethyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.