2-chloro-5-(4-chloro-2-(3-(3-(trifluoromethyl)phenyl)ureido)phenoxy)-3-methylbenzenesulfonic acid
TL;DR: 2-chloro-5-(4-chloro-2-(3-(3-(trifluoromethyl)phenyl)ureido)phenoxy)-3-methylbenzenesulfonic acid (CAS 500694-22-4) is a chemical compound with molecular formula C21H15Cl2F3N2O5S and molecular weight 534.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-5-[4-chloro-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-3-methylbenzenesulfonic acid
Also Known As: 2-chloro-5-(4-chloro-2-(3-(3-(trifluoromethyl)phenyl)ureido)phenoxy)-3-methylbenzenesulfonic acid, 2-chloro-5-[4-chloro-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-3-methylbenzenesulfonic acid, 2-Chloro-5-[4-chloro-2-({[3-(trifluoromethyl)phenyl]carbamoy
| Molecular Formula | C21H15Cl2F3N2O5S |
|---|---|
| Molecular Weight | 534.00 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 534.0031 |
| Heavy Atoms | 34 |
| Complexity | 813.0 |
Chemical Identifiers
| CAS Number | 500694-22-4 |
|---|---|
| SMILES | CC1=CC(=CC(=C1Cl)S(=O)(=O)O)OC2=C(C=C(C=C2)Cl)NC(=O)NC3=CC=CC(=C3)C(F)(F)F |
| InChIKey | HOXXPVIMYCPSKY-UHFFFAOYSA-N |
Product Overview
2-chloro-5-(4-chloro-2-(3-(3-(trifluoromethyl)phenyl)ureido)phenoxy)-3-methylbenzenesulfonic acid (CAS 500694-22-4), with molecular formula C21H15Cl2F3N2O5S and molecular weight 534.00 g/mol. IUPAC: 2-chloro-5-[4-chloro-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-3-methylbenzenesulfonic acid.
Chemical Property Profile of 2-chloro-5-(4-chloro-2-(3-(3-(trifluoromethyl)phenyl)ureido)phenoxy)-3-methylbenzenesulfonic acid
Property Insights of 2-chloro-5-(4-chloro-2-(3-(3-(trifluoromethyl)phenyl)ureido)phenoxy)-3-methylbenzenesulfonic acid
The XLogP value of 5.3 indicates that 2-chloro-5-(4-chloro-2-(3-(3-(trifluoromethyl)phenyl)ureido)phenoxy)-3-methylbenzenesulfonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-5-(4-chloro-2-(3-(3-(trifluoromethyl)phenyl)ureido)phenoxy)-3-methylbenzenesulfonic acid. Following Lipinski's Rule of Five, 2-chloro-5-(4-chloro-2-(3-(3-(trifluoromethyl)phenyl)ureido)phenoxy)-3-methylbenzenesulfonic acid has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-chloro-5-(4-chloro-2-(3-(3-(trifluoromethyl)phenyl)ureido)phenoxy)-3-methylbenzenesulfonic acid?
The CAS number of 2-chloro-5-(4-chloro-2-(3-(3-(trifluoromethyl)phenyl)ureido)phenoxy)-3-methylbenzenesulfonic acid is 500694-22-4.
What is the molecular formula of 2-chloro-5-(4-chloro-2-(3-(3-(trifluoromethyl)phenyl)ureido)phenoxy)-3-methylbenzenesulfonic acid?
The molecular formula of 2-chloro-5-(4-chloro-2-(3-(3-(trifluoromethyl)phenyl)ureido)phenoxy)-3-methylbenzenesulfonic acid is C21H15Cl2F3N2O5S.
What is the molecular weight of 2-chloro-5-(4-chloro-2-(3-(3-(trifluoromethyl)phenyl)ureido)phenoxy)-3-methylbenzenesulfonic acid?
The molecular weight of 2-chloro-5-(4-chloro-2-(3-(3-(trifluoromethyl)phenyl)ureido)phenoxy)-3-methylbenzenesulfonic acid is 534.00 g/mol.
Where can I buy 2-chloro-5-(4-chloro-2-(3-(3-(trifluoromethyl)phenyl)ureido)phenoxy)-3-methylbenzenesulfonic acid?
You can request a quote for 2-chloro-5-(4-chloro-2-(3-(3-(trifluoromethyl)phenyl)ureido)phenoxy)-3-methylbenzenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-5-(4-chloro-2-(3-(3-(trifluoromethyl)phenyl)ureido)phenoxy)-3-methylbenzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-5-(4-chloro-2-(3-(3-(trifluoromethyl)phenyl)ureido)phenoxy)-3-methylbenzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.