![ethyl 2-({3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](/static/products/4450/445025-77-4.webp)
ethyl 2-({3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: ethyl 2-({3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 445025-77-4) is a chemical compound with molecular formula C21H22F3NO4S and molecular weight 441.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[3-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ethyl 2-({3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[({3-[(2,2,2-trifluoroethoxy)methyl]phenyl}carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[[3-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-(3-((2,2,2-trifluoroethoxy)methyl)benzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C21H22F3NO4S |
|---|---|
| Molecular Weight | 441.12 g/mol |
| LogP | 5.1348 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 441.12216 |
| Heavy Atoms | 30 |
| Complexity | 923.4607 |
Chemical Identifiers
| CAS Number | 445025-77-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=CC(=C3)COCC(F)(F)F |
Product Overview
ethyl 2-({3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 445025-77-4), with molecular formula C21H22F3NO4S and molecular weight 441.12 g/mol. IUPAC: ethyl 2-[[3-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-({3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of ethyl 2-({3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 5.1348 indicates that ethyl 2-({3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}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 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-({3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-({3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate has 1 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-({3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of ethyl 2-({3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 445025-77-4.
What is the molecular formula of ethyl 2-({3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of ethyl 2-({3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C21H22F3NO4S.
What is the molecular weight of ethyl 2-({3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of ethyl 2-({3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 441.12 g/mol.
Where can I buy ethyl 2-({3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for ethyl 2-({3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}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 ethyl 2-({3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-({3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.