![methyl 2-({1-(ethoxycarbonyl)-2,2,2-trifluoro-1-[(phenoxyacetyl)amino]ethyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](/static/products/2986/298683-49-5.webp)
methyl 2-({1-(ethoxycarbonyl)-2,2,2-trifluoro-1-[(phenoxyacetyl)amino]ethyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: methyl 2-({1-(ethoxycarbonyl)-2,2,2-trifluoro-1-[(phenoxyacetyl)amino]ethyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 298683-49-5) is a chemical compound with molecular formula C23H25F3N2O6S and molecular weight 514.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[3-ethoxy-1,1,1-trifluoro-3-oxo-2-[(2-phenoxyacetyl)amino]propan-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: methyl 2-({1-(ethoxycarbonyl)-2,2,2-trifluoro-1-[(phenoxyacetyl)amino]ethyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, A2146/0090120, methyl 2-[[3-ethoxy-1,1,1-trifluoro-3-oxo-2-[(2-phenoxyacetyl)amino]propan-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-((3-ethoxy-1,1,1-trifluoro-3-oxo-2-(2-phenoxyacetamido)propan-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, methyl 2-({3-ethoxy-1,1,1-trifluoro-3-oxo-2-[(phenoxyacetyl)amino]propan-2-yl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C23H25F3N2O6S |
|---|---|
| Molecular Weight | 514.14 g/mol |
| LogP | 3.8423 |
| Topological Polar Surface Area | 102.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 514.13855 |
| Heavy Atoms | 35 |
| Complexity | 1073.1992 |
Chemical Identifiers
| CAS Number | 298683-49-5 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC1=C(C2=C(S1)CCCC2)C(=O)OC)NC(=O)COC3=CC=CC=C3 |
Product Overview
methyl 2-({1-(ethoxycarbonyl)-2,2,2-trifluoro-1-[(phenoxyacetyl)amino]ethyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 298683-49-5), with molecular formula C23H25F3N2O6S and molecular weight 514.14 g/mol. IUPAC: methyl 2-[[3-ethoxy-1,1,1-trifluoro-3-oxo-2-[(2-phenoxyacetyl)amino]propan-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of methyl 2-({1-(ethoxycarbonyl)-2,2,2-trifluoro-1-[(phenoxyacetyl)amino]ethyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of methyl 2-({1-(ethoxycarbonyl)-2,2,2-trifluoro-1-[(phenoxyacetyl)amino]ethyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 3.8423 indicates that methyl 2-({1-(ethoxycarbonyl)-2,2,2-trifluoro-1-[(phenoxyacetyl)amino]ethyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.96 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-({1-(ethoxycarbonyl)-2,2,2-trifluoro-1-[(phenoxyacetyl)amino]ethyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-({1-(ethoxycarbonyl)-2,2,2-trifluoro-1-[(phenoxyacetyl)amino]ethyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate has 2 hydrogen bond donor(s) and 8 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-({1-(ethoxycarbonyl)-2,2,2-trifluoro-1-[(phenoxyacetyl)amino]ethyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of methyl 2-({1-(ethoxycarbonyl)-2,2,2-trifluoro-1-[(phenoxyacetyl)amino]ethyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 298683-49-5.
What is the molecular formula of methyl 2-({1-(ethoxycarbonyl)-2,2,2-trifluoro-1-[(phenoxyacetyl)amino]ethyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of methyl 2-({1-(ethoxycarbonyl)-2,2,2-trifluoro-1-[(phenoxyacetyl)amino]ethyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C23H25F3N2O6S.
What is the molecular weight of methyl 2-({1-(ethoxycarbonyl)-2,2,2-trifluoro-1-[(phenoxyacetyl)amino]ethyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of methyl 2-({1-(ethoxycarbonyl)-2,2,2-trifluoro-1-[(phenoxyacetyl)amino]ethyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 514.14 g/mol.
Where can I buy methyl 2-({1-(ethoxycarbonyl)-2,2,2-trifluoro-1-[(phenoxyacetyl)amino]ethyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for methyl 2-({1-(ethoxycarbonyl)-2,2,2-trifluoro-1-[(phenoxyacetyl)amino]ethyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-({1-(ethoxycarbonyl)-2,2,2-trifluoro-1-[(phenoxyacetyl)amino]ethyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-({1-(ethoxycarbonyl)-2,2,2-trifluoro-1-[(phenoxyacetyl)amino]ethyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.