![ethyl 2-[4-[(2,4-dichlorobenzoyl)carbamothioylamino]-3-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanoate structure](/static/products/374/374544-83-9.png)
ethyl 2-[4-[(2,4-dichlorobenzoyl)carbamothioylamino]-3-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanoate
TL;DR: ethyl 2-[4-[(2,4-dichlorobenzoyl)carbamothioylamino]-3-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanoate (CAS 374544-83-9) is a chemical compound with molecular formula C20H17Cl2F3N2O4S and molecular weight 508.02 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-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanoate
Also Known As: ethyl 2-[4-[(2,4-dichlorobenzoyl)carbamothioylamino]-3-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanoate, 2-[4-[[[[(2,4-dichlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-3-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanoic acid ethyl ester, (R)-ethyl 2-(4-(3-(2,4-dichlorobenzoyl)thioureido)-3-methylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate, 2-{4-[3-(2,4-Dichloro-benzoyl)-thioureido]-3-methyl-phenyl}-3,3,3-trifluoro-2-hydroxy-propionic acid ethyl ester, ethyl 2-[4-({[(2,4-dichlorophenyl)carbonyl]carbamothioyl}amino)-3-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanoate
| Molecular Formula | C20H17Cl2F3N2O4S |
|---|---|
| Molecular Weight | 508.02 g/mol |
| LogP | 4.74162 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 508.0238 |
| Heavy Atoms | 32 |
| Complexity | 1065.6257 |
Chemical Identifiers
| CAS Number | 374544-83-9 |
|---|---|
| SMILES | CCOC(=O)C(C1=CC(=C(C=C1)NC(=S)NC(=O)C2=C(C=C(C=C2)Cl)Cl)C)(C(F)(F)F)O |
Product Overview
ethyl 2-[4-[(2,4-dichlorobenzoyl)carbamothioylamino]-3-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanoate (CAS 374544-83-9), with molecular formula C20H17Cl2F3N2O4S and molecular weight 508.02 g/mol. IUPAC: ethyl 2-[4-[(2,4-dichlorobenzoyl)carbamothioylamino]-3-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanoate.
Chemical Property Profile of ethyl 2-[4-[(2,4-dichlorobenzoyl)carbamothioylamino]-3-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanoate
Property Insights of ethyl 2-[4-[(2,4-dichlorobenzoyl)carbamothioylamino]-3-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanoate
The XLogP value of 4.74162 indicates that ethyl 2-[4-[(2,4-dichlorobenzoyl)carbamothioylamino]-3-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanoate 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 ethyl 2-[4-[(2,4-dichlorobenzoyl)carbamothioylamino]-3-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanoate. Following Lipinski's Rule of Five, ethyl 2-[4-[(2,4-dichlorobenzoyl)carbamothioylamino]-3-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanoate has 3 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 ethyl 2-[4-[(2,4-dichlorobenzoyl)carbamothioylamino]-3-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanoate?
The CAS number of ethyl 2-[4-[(2,4-dichlorobenzoyl)carbamothioylamino]-3-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanoate is 374544-83-9.
What is the molecular formula of ethyl 2-[4-[(2,4-dichlorobenzoyl)carbamothioylamino]-3-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanoate?
The molecular formula of ethyl 2-[4-[(2,4-dichlorobenzoyl)carbamothioylamino]-3-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanoate is C20H17Cl2F3N2O4S.
What is the molecular weight of ethyl 2-[4-[(2,4-dichlorobenzoyl)carbamothioylamino]-3-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanoate?
The molecular weight of ethyl 2-[4-[(2,4-dichlorobenzoyl)carbamothioylamino]-3-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanoate is 508.02 g/mol.
Where can I buy ethyl 2-[4-[(2,4-dichlorobenzoyl)carbamothioylamino]-3-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanoate?
You can request a quote for ethyl 2-[4-[(2,4-dichlorobenzoyl)carbamothioylamino]-3-methylphenyl]-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-[(2,4-dichlorobenzoyl)carbamothioylamino]-3-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[4-[(2,4-dichlorobenzoyl)carbamothioylamino]-3-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.