![2-{4-[3-(2,4-Dichloro-benzoyl)-thioureido]-phenyl}-3,3,3-trifluoro-2-hydroxy-propionic acid ethyl ester structure](/static/products/374/374087-13-5.png)
2-{4-[3-(2,4-Dichloro-benzoyl)-thioureido]-phenyl}-3,3,3-trifluoro-2-hydroxy-propionic acid ethyl ester
TL;DR: 2-{4-[3-(2,4-Dichloro-benzoyl)-thioureido]-phenyl}-3,3,3-trifluoro-2-hydroxy-propionic acid ethyl ester (CAS 374087-13-5) is a chemical compound with molecular formula C19H15Cl2F3N2O4S and molecular weight 494.01 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]phenyl]-3,3,3-trifluoro-2-hydroxypropanoate
Also Known As: 2-{4-[3-(2,4-Dichloro-benzoyl)-thioureido]-phenyl}-3,3,3-trifluoro-2-hydroxy-propionic acid ethyl ester, ethyl 2-[4-[(2,4-dichlorobenzoyl)carbamothioylamino]phenyl]-3,3,3-trifluoro-2-hydroxypropanoate, (R)-ethyl 2-(4-(3-(2,4-dichlorobenzoyl)thioureido)phenyl)-3,3,3-trifluoro-2-hydroxypropanoate, 2-[4-[(2,4-dichlorobenzoyl)thiocarbamoylamino]phenyl]-3,3,3-trifluoro-2-hydroxy-propionic acid ethyl ester, 2-[4-[[[[(2,4-dichlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-3,3,3-trifluoro-2-hydroxypropanoic acid ethyl ester
| Molecular Formula | C19H15Cl2F3N2O4S |
|---|---|
| Molecular Weight | 494.01 g/mol |
| LogP | 4.4332 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 494.00818 |
| Heavy Atoms | 31 |
| Complexity | 1002.6377 |
Chemical Identifiers
| CAS Number | 374087-13-5 |
|---|---|
| SMILES | CCOC(=O)C(C1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=C(C=C2)Cl)Cl)(C(F)(F)F)O |
Product Overview
2-{4-[3-(2,4-Dichloro-benzoyl)-thioureido]-phenyl}-3,3,3-trifluoro-2-hydroxy-propionic acid ethyl ester (CAS 374087-13-5), with molecular formula C19H15Cl2F3N2O4S and molecular weight 494.01 g/mol. IUPAC: ethyl 2-[4-[(2,4-dichlorobenzoyl)carbamothioylamino]phenyl]-3,3,3-trifluoro-2-hydroxypropanoate.
Chemical Property Profile of 2-{4-[3-(2,4-Dichloro-benzoyl)-thioureido]-phenyl}-3,3,3-trifluoro-2-hydroxy-propionic acid ethyl ester
Property Insights of 2-{4-[3-(2,4-Dichloro-benzoyl)-thioureido]-phenyl}-3,3,3-trifluoro-2-hydroxy-propionic acid ethyl ester
The XLogP value of 4.4332 indicates that 2-{4-[3-(2,4-Dichloro-benzoyl)-thioureido]-phenyl}-3,3,3-trifluoro-2-hydroxy-propionic acid ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{4-[3-(2,4-Dichloro-benzoyl)-thioureido]-phenyl}-3,3,3-trifluoro-2-hydroxy-propionic acid ethyl ester. Following Lipinski's Rule of Five, 2-{4-[3-(2,4-Dichloro-benzoyl)-thioureido]-phenyl}-3,3,3-trifluoro-2-hydroxy-propionic acid ethyl ester has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-{4-[3-(2,4-Dichloro-benzoyl)-thioureido]-phenyl}-3,3,3-trifluoro-2-hydroxy-propionic acid ethyl ester?
The CAS number of 2-{4-[3-(2,4-Dichloro-benzoyl)-thioureido]-phenyl}-3,3,3-trifluoro-2-hydroxy-propionic acid ethyl ester is 374087-13-5.
What is the molecular formula of 2-{4-[3-(2,4-Dichloro-benzoyl)-thioureido]-phenyl}-3,3,3-trifluoro-2-hydroxy-propionic acid ethyl ester?
The molecular formula of 2-{4-[3-(2,4-Dichloro-benzoyl)-thioureido]-phenyl}-3,3,3-trifluoro-2-hydroxy-propionic acid ethyl ester is C19H15Cl2F3N2O4S.
What is the molecular weight of 2-{4-[3-(2,4-Dichloro-benzoyl)-thioureido]-phenyl}-3,3,3-trifluoro-2-hydroxy-propionic acid ethyl ester?
The molecular weight of 2-{4-[3-(2,4-Dichloro-benzoyl)-thioureido]-phenyl}-3,3,3-trifluoro-2-hydroxy-propionic acid ethyl ester is 494.01 g/mol.
Where can I buy 2-{4-[3-(2,4-Dichloro-benzoyl)-thioureido]-phenyl}-3,3,3-trifluoro-2-hydroxy-propionic acid ethyl ester?
You can request a quote for 2-{4-[3-(2,4-Dichloro-benzoyl)-thioureido]-phenyl}-3,3,3-trifluoro-2-hydroxy-propionic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{4-[3-(2,4-Dichloro-benzoyl)-thioureido]-phenyl}-3,3,3-trifluoro-2-hydroxy-propionic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-{4-[3-(2,4-Dichloro-benzoyl)-thioureido]-phenyl}-3,3,3-trifluoro-2-hydroxy-propionic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.