(S)-methyl 2-((2-(2,4-dichlorobenzamido)-1,1,1-trifluoro-3-methoxy-3-oxopropan-2-yl)amino)-4-ethyl-5-methylthiophene-3-carboxylate
TL;DR: (S)-methyl 2-((2-(2,4-dichlorobenzamido)-1,1,1-trifluoro-3-methoxy-3-oxopropan-2-yl)amino)-4-ethyl-5-methylthiophene-3-carboxylate (CAS 500105-94-2) is a chemical compound with molecular formula C20H19Cl2F3N2O5S and molecular weight 526.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]-1,1,1-trifluoro-3-methoxy-3-oxopropan-2-yl]amino]-4-ethyl-5-methylthiophene-3-carboxylate
Also Known As: (S)-methyl 2-((2-(2,4-dichlorobenzamido)-1,1,1-trifluoro-3-methoxy-3-oxopropan-2-yl)amino)-4-ethyl-5-methylthiophene-3-carboxylate, METHYL 2-({2-[(2,4-DICHLOROPHENYL)FORMAMIDO]-1,1,1-TRIFLUORO-3-METHOXY-3-OXOPROPAN-2-YL}AMINO)-4-ETHYL-5-METHYLTHIOPHENE-3-CARBOXYLATE, methyl 2-[(2-{[(2,4-dichlorophenyl)carbonyl]amino}-1,1,1-trifluoro-3-methoxy-3-oxopropan-2-yl)amino]-4-ethyl-5-methylthiophene-3-carboxylate, methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]-1,1,1-trifluoro-3-methoxy-3-oxopropan-2-yl]amino]-4-ethyl-5-methylthiophene-3-carboxylate
| Molecular Formula | C20H19Cl2F3N2O5S |
|---|---|
| Molecular Weight | 526.03 g/mol |
| LogP | 4.98582 |
| Topological Polar Surface Area | 93.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 526.03436 |
| Heavy Atoms | 33 |
| Complexity | 1090.383 |
Chemical Identifiers
| CAS Number | 500105-94-2 |
|---|---|
| SMILES | CCC1=C(SC(=C1C(=O)OC)NC(C(=O)OC)(C(F)(F)F)NC(=O)C2=C(C=C(C=C2)Cl)Cl)C |
Product Overview
(S)-methyl 2-((2-(2,4-dichlorobenzamido)-1,1,1-trifluoro-3-methoxy-3-oxopropan-2-yl)amino)-4-ethyl-5-methylthiophene-3-carboxylate (CAS 500105-94-2), with molecular formula C20H19Cl2F3N2O5S and molecular weight 526.03 g/mol. IUPAC: methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]-1,1,1-trifluoro-3-methoxy-3-oxopropan-2-yl]amino]-4-ethyl-5-methylthiophene-3-carboxylate.
Chemical Property Profile of (S)-methyl 2-((2-(2,4-dichlorobenzamido)-1,1,1-trifluoro-3-methoxy-3-oxopropan-2-yl)amino)-4-ethyl-5-methylthiophene-3-carboxylate
Property Insights of (S)-methyl 2-((2-(2,4-dichlorobenzamido)-1,1,1-trifluoro-3-methoxy-3-oxopropan-2-yl)amino)-4-ethyl-5-methylthiophene-3-carboxylate
The XLogP value of 4.98582 indicates that (S)-methyl 2-((2-(2,4-dichlorobenzamido)-1,1,1-trifluoro-3-methoxy-3-oxopropan-2-yl)amino)-4-ethyl-5-methylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.73 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-methyl 2-((2-(2,4-dichlorobenzamido)-1,1,1-trifluoro-3-methoxy-3-oxopropan-2-yl)amino)-4-ethyl-5-methylthiophene-3-carboxylate. Following Lipinski's Rule of Five, (S)-methyl 2-((2-(2,4-dichlorobenzamido)-1,1,1-trifluoro-3-methoxy-3-oxopropan-2-yl)amino)-4-ethyl-5-methylthiophene-3-carboxylate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (S)-methyl 2-((2-(2,4-dichlorobenzamido)-1,1,1-trifluoro-3-methoxy-3-oxopropan-2-yl)amino)-4-ethyl-5-methylthiophene-3-carboxylate?
The CAS number of (S)-methyl 2-((2-(2,4-dichlorobenzamido)-1,1,1-trifluoro-3-methoxy-3-oxopropan-2-yl)amino)-4-ethyl-5-methylthiophene-3-carboxylate is 500105-94-2.
What is the molecular formula of (S)-methyl 2-((2-(2,4-dichlorobenzamido)-1,1,1-trifluoro-3-methoxy-3-oxopropan-2-yl)amino)-4-ethyl-5-methylthiophene-3-carboxylate?
The molecular formula of (S)-methyl 2-((2-(2,4-dichlorobenzamido)-1,1,1-trifluoro-3-methoxy-3-oxopropan-2-yl)amino)-4-ethyl-5-methylthiophene-3-carboxylate is C20H19Cl2F3N2O5S.
What is the molecular weight of (S)-methyl 2-((2-(2,4-dichlorobenzamido)-1,1,1-trifluoro-3-methoxy-3-oxopropan-2-yl)amino)-4-ethyl-5-methylthiophene-3-carboxylate?
The molecular weight of (S)-methyl 2-((2-(2,4-dichlorobenzamido)-1,1,1-trifluoro-3-methoxy-3-oxopropan-2-yl)amino)-4-ethyl-5-methylthiophene-3-carboxylate is 526.03 g/mol.
Where can I buy (S)-methyl 2-((2-(2,4-dichlorobenzamido)-1,1,1-trifluoro-3-methoxy-3-oxopropan-2-yl)amino)-4-ethyl-5-methylthiophene-3-carboxylate?
You can request a quote for (S)-methyl 2-((2-(2,4-dichlorobenzamido)-1,1,1-trifluoro-3-methoxy-3-oxopropan-2-yl)amino)-4-ethyl-5-methylthiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-methyl 2-((2-(2,4-dichlorobenzamido)-1,1,1-trifluoro-3-methoxy-3-oxopropan-2-yl)amino)-4-ethyl-5-methylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (S)-methyl 2-((2-(2,4-dichlorobenzamido)-1,1,1-trifluoro-3-methoxy-3-oxopropan-2-yl)amino)-4-ethyl-5-methylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.