methyl 2-(4-(3-(2,4-dichlorobenzoyl)thioureido)phenyl)-3,3,3-trifluoro-2-hydroxypropanoate
TL;DR: methyl 2-(4-(3-(2,4-dichlorobenzoyl)thioureido)phenyl)-3,3,3-trifluoro-2-hydroxypropanoate (CAS 373611-91-7) is a chemical compound with molecular formula C18H13Cl2F3N2O4S and molecular weight 479.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-[(2,4-dichlorobenzoyl)carbamothioylamino]phenyl]-3,3,3-trifluoro-2-hydroxypropanoate
Also Known As: methyl 2-(4-(3-(2,4-dichlorobenzoyl)thioureido)phenyl)-3,3,3-trifluoro-2-hydroxypropanoate, 2-{4-[3-(2,4-Dichloro-benzoyl)-thioureido]-phenyl}-3,3,3-trifluoro-2-hydroxy-propionic acid methyl ester, methyl 2-[4-({[(2,4-dichlorophenyl)carbonyl]carbamothioyl}amino)phenyl]-3,3,3-trifluoro-2-hydroxypropanoate, methyl 2-[4-[(2,4-dichlorobenzoyl)carbamothioylamino]phenyl]-3,3,3-trifluoro-2-hydroxypropanoate
| Molecular Formula | C18H13Cl2F3N2O4S |
|---|---|
| Molecular Weight | 479.99 g/mol |
| LogP | 4.0431 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 479.99252 |
| Heavy Atoms | 30 |
| Complexity | 986.387 |
Chemical Identifiers
| CAS Number | 373611-91-7 |
|---|---|
| SMILES | COC(=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
methyl 2-(4-(3-(2,4-dichlorobenzoyl)thioureido)phenyl)-3,3,3-trifluoro-2-hydroxypropanoate (CAS 373611-91-7), with molecular formula C18H13Cl2F3N2O4S and molecular weight 479.99 g/mol. IUPAC: methyl 2-[4-[(2,4-dichlorobenzoyl)carbamothioylamino]phenyl]-3,3,3-trifluoro-2-hydroxypropanoate.
Chemical Property Profile of methyl 2-(4-(3-(2,4-dichlorobenzoyl)thioureido)phenyl)-3,3,3-trifluoro-2-hydroxypropanoate
Property Insights of methyl 2-(4-(3-(2,4-dichlorobenzoyl)thioureido)phenyl)-3,3,3-trifluoro-2-hydroxypropanoate
The XLogP value of 4.0431 indicates that methyl 2-(4-(3-(2,4-dichlorobenzoyl)thioureido)phenyl)-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 methyl 2-(4-(3-(2,4-dichlorobenzoyl)thioureido)phenyl)-3,3,3-trifluoro-2-hydroxypropanoate. Following Lipinski's Rule of Five, methyl 2-(4-(3-(2,4-dichlorobenzoyl)thioureido)phenyl)-3,3,3-trifluoro-2-hydroxypropanoate 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 methyl 2-(4-(3-(2,4-dichlorobenzoyl)thioureido)phenyl)-3,3,3-trifluoro-2-hydroxypropanoate?
The CAS number of methyl 2-(4-(3-(2,4-dichlorobenzoyl)thioureido)phenyl)-3,3,3-trifluoro-2-hydroxypropanoate is 373611-91-7.
What is the molecular formula of methyl 2-(4-(3-(2,4-dichlorobenzoyl)thioureido)phenyl)-3,3,3-trifluoro-2-hydroxypropanoate?
The molecular formula of methyl 2-(4-(3-(2,4-dichlorobenzoyl)thioureido)phenyl)-3,3,3-trifluoro-2-hydroxypropanoate is C18H13Cl2F3N2O4S.
What is the molecular weight of methyl 2-(4-(3-(2,4-dichlorobenzoyl)thioureido)phenyl)-3,3,3-trifluoro-2-hydroxypropanoate?
The molecular weight of methyl 2-(4-(3-(2,4-dichlorobenzoyl)thioureido)phenyl)-3,3,3-trifluoro-2-hydroxypropanoate is 479.99 g/mol.
Where can I buy methyl 2-(4-(3-(2,4-dichlorobenzoyl)thioureido)phenyl)-3,3,3-trifluoro-2-hydroxypropanoate?
You can request a quote for methyl 2-(4-(3-(2,4-dichlorobenzoyl)thioureido)phenyl)-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 methyl 2-(4-(3-(2,4-dichlorobenzoyl)thioureido)phenyl)-3,3,3-trifluoro-2-hydroxypropanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(4-(3-(2,4-dichlorobenzoyl)thioureido)phenyl)-3,3,3-trifluoro-2-hydroxypropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.