ethyl 2-(4-(3-(2,4-dichlorobenzoyl)thioureido)-3-methoxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoate
TL;DR: ethyl 2-(4-(3-(2,4-dichlorobenzoyl)thioureido)-3-methoxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoate (CAS 373369-38-1) is a chemical compound with molecular formula C20H17Cl2F3N2O5S and molecular weight 524.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-[(2,4-dichlorobenzoyl)carbamothioylamino]-3-methoxyphenyl]-3,3,3-trifluoro-2-hydroxypropanoate
Also Known As: ethyl 2-(4-(3-(2,4-dichlorobenzoyl)thioureido)-3-methoxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoate, ethyl 2-[4-({[(2,4-dichlorophenyl)carbonyl]carbamothioyl}amino)-3-methoxyphenyl]-3,3,3-trifluoro-2-hydroxypropanoate, ethyl 2-[4-[(2,4-dichlorobenzoyl)carbamothioylamino]-3-methoxyphenyl]-3,3,3-trifluoro-2-hydroxypropanoate
| Molecular Formula | C20H17Cl2F3N2O5S |
|---|---|
| Molecular Weight | 524.02 g/mol |
| LogP | 4.4418 |
| Topological Polar Surface Area | 96.89 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 524.01874 |
| Heavy Atoms | 33 |
| Complexity | 1084.1511 |
Chemical Identifiers
| CAS Number | 373369-38-1 |
|---|---|
| SMILES | CCOC(=O)C(C1=CC(=C(C=C1)NC(=S)NC(=O)C2=C(C=C(C=C2)Cl)Cl)OC)(C(F)(F)F)O |
Product Overview
ethyl 2-(4-(3-(2,4-dichlorobenzoyl)thioureido)-3-methoxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoate (CAS 373369-38-1), with molecular formula C20H17Cl2F3N2O5S and molecular weight 524.02 g/mol. IUPAC: ethyl 2-[4-[(2,4-dichlorobenzoyl)carbamothioylamino]-3-methoxyphenyl]-3,3,3-trifluoro-2-hydroxypropanoate.
Chemical Property Profile of ethyl 2-(4-(3-(2,4-dichlorobenzoyl)thioureido)-3-methoxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoate
Property Insights of ethyl 2-(4-(3-(2,4-dichlorobenzoyl)thioureido)-3-methoxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoate
The XLogP value of 4.4418 indicates that ethyl 2-(4-(3-(2,4-dichlorobenzoyl)thioureido)-3-methoxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.89 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(4-(3-(2,4-dichlorobenzoyl)thioureido)-3-methoxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoate. Following Lipinski's Rule of Five, ethyl 2-(4-(3-(2,4-dichlorobenzoyl)thioureido)-3-methoxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoate has 3 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 ethyl 2-(4-(3-(2,4-dichlorobenzoyl)thioureido)-3-methoxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoate?
The CAS number of ethyl 2-(4-(3-(2,4-dichlorobenzoyl)thioureido)-3-methoxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoate is 373369-38-1.
What is the molecular formula of ethyl 2-(4-(3-(2,4-dichlorobenzoyl)thioureido)-3-methoxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoate?
The molecular formula of ethyl 2-(4-(3-(2,4-dichlorobenzoyl)thioureido)-3-methoxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoate is C20H17Cl2F3N2O5S.
What is the molecular weight of ethyl 2-(4-(3-(2,4-dichlorobenzoyl)thioureido)-3-methoxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoate?
The molecular weight of ethyl 2-(4-(3-(2,4-dichlorobenzoyl)thioureido)-3-methoxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoate is 524.02 g/mol.
Where can I buy ethyl 2-(4-(3-(2,4-dichlorobenzoyl)thioureido)-3-methoxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoate?
You can request a quote for ethyl 2-(4-(3-(2,4-dichlorobenzoyl)thioureido)-3-methoxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-(4-(3-(2,4-dichlorobenzoyl)thioureido)-3-methoxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(4-(3-(2,4-dichlorobenzoyl)thioureido)-3-methoxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.