methyl 2-((3-cyano-4-ethyl-5-methylthiophen-2-yl)amino)-2-(2,4-dichlorobenzamido)-3,3,3-trifluoropropanoate
TL;DR: methyl 2-((3-cyano-4-ethyl-5-methylthiophen-2-yl)amino)-2-(2,4-dichlorobenzamido)-3,3,3-trifluoropropanoate (CAS 372970-56-4) is a chemical compound with molecular formula C19H16Cl2F3N3O3S and molecular weight 493.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)amino]-2-[(2,4-dichlorobenzoyl)amino]-3,3,3-trifluoropropanoate
Also Known As: methyl 2-((3-cyano-4-ethyl-5-methylthiophen-2-yl)amino)-2-(2,4-dichlorobenzamido)-3,3,3-trifluoropropanoate, methyl 2-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)amino]-2-[(2,4-dichlorobenzoyl)amino]-3,3,3-trifluoropropanoate, methyl N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-2-{[(2,4-dichlorophenyl)carbonyl]amino}-3,3,3-trifluoroalaninate
| Molecular Formula | C19H16Cl2F3N3O3S |
|---|---|
| Molecular Weight | 493.02 g/mol |
| LogP | 5.0709 |
| Topological Polar Surface Area | 91.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 493.02414 |
| Heavy Atoms | 31 |
| Complexity | 1066.1333 |
Chemical Identifiers
| CAS Number | 372970-56-4 |
|---|---|
| SMILES | CCC1=C(SC(=C1C#N)NC(C(=O)OC)(C(F)(F)F)NC(=O)C2=C(C=C(C=C2)Cl)Cl)C |
Product Overview
methyl 2-((3-cyano-4-ethyl-5-methylthiophen-2-yl)amino)-2-(2,4-dichlorobenzamido)-3,3,3-trifluoropropanoate (CAS 372970-56-4), with molecular formula C19H16Cl2F3N3O3S and molecular weight 493.02 g/mol. IUPAC: methyl 2-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)amino]-2-[(2,4-dichlorobenzoyl)amino]-3,3,3-trifluoropropanoate.
Chemical Property Profile of methyl 2-((3-cyano-4-ethyl-5-methylthiophen-2-yl)amino)-2-(2,4-dichlorobenzamido)-3,3,3-trifluoropropanoate
Property Insights of methyl 2-((3-cyano-4-ethyl-5-methylthiophen-2-yl)amino)-2-(2,4-dichlorobenzamido)-3,3,3-trifluoropropanoate
The XLogP value of 5.0709 indicates that methyl 2-((3-cyano-4-ethyl-5-methylthiophen-2-yl)amino)-2-(2,4-dichlorobenzamido)-3,3,3-trifluoropropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.22 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-((3-cyano-4-ethyl-5-methylthiophen-2-yl)amino)-2-(2,4-dichlorobenzamido)-3,3,3-trifluoropropanoate. Following Lipinski's Rule of Five, methyl 2-((3-cyano-4-ethyl-5-methylthiophen-2-yl)amino)-2-(2,4-dichlorobenzamido)-3,3,3-trifluoropropanoate has 2 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 methyl 2-((3-cyano-4-ethyl-5-methylthiophen-2-yl)amino)-2-(2,4-dichlorobenzamido)-3,3,3-trifluoropropanoate?
The CAS number of methyl 2-((3-cyano-4-ethyl-5-methylthiophen-2-yl)amino)-2-(2,4-dichlorobenzamido)-3,3,3-trifluoropropanoate is 372970-56-4.
What is the molecular formula of methyl 2-((3-cyano-4-ethyl-5-methylthiophen-2-yl)amino)-2-(2,4-dichlorobenzamido)-3,3,3-trifluoropropanoate?
The molecular formula of methyl 2-((3-cyano-4-ethyl-5-methylthiophen-2-yl)amino)-2-(2,4-dichlorobenzamido)-3,3,3-trifluoropropanoate is C19H16Cl2F3N3O3S.
What is the molecular weight of methyl 2-((3-cyano-4-ethyl-5-methylthiophen-2-yl)amino)-2-(2,4-dichlorobenzamido)-3,3,3-trifluoropropanoate?
The molecular weight of methyl 2-((3-cyano-4-ethyl-5-methylthiophen-2-yl)amino)-2-(2,4-dichlorobenzamido)-3,3,3-trifluoropropanoate is 493.02 g/mol.
Where can I buy methyl 2-((3-cyano-4-ethyl-5-methylthiophen-2-yl)amino)-2-(2,4-dichlorobenzamido)-3,3,3-trifluoropropanoate?
You can request a quote for methyl 2-((3-cyano-4-ethyl-5-methylthiophen-2-yl)amino)-2-(2,4-dichlorobenzamido)-3,3,3-trifluoropropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-((3-cyano-4-ethyl-5-methylthiophen-2-yl)amino)-2-(2,4-dichlorobenzamido)-3,3,3-trifluoropropanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-((3-cyano-4-ethyl-5-methylthiophen-2-yl)amino)-2-(2,4-dichlorobenzamido)-3,3,3-trifluoropropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.