![Benzothiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[1-(2,4-dichlorobenzoylamino)-2,2,2-trifluoro-1-methoxycarbonylethylamino]-, methyl ester structure](/static/products/374/374092-56-5.png)
Benzothiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[1-(2,4-dichlorobenzoylamino)-2,2,2-trifluoro-1-methoxycarbonylethylamino]-, methyl ester
TL;DR: Benzothiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[1-(2,4-dichlorobenzoylamino)-2,2,2-trifluoro-1-methoxycarbonylethylamino]-, methyl ester (CAS 374092-56-5) is a chemical compound with molecular formula C21H19Cl2F3N2O5S and molecular weight 538.03 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]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: Benzothiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[1-(2,4-dichlorobenzoylamino)-2,2,2-trifluoro-1-methoxycarbonylethylamino]-, methyl ester, methyl 2-((2-(2,4-dichlorobenzamido)-1,1,1-trifluoro-3-methoxy-3-oxopropan-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, Methyl 2-([1-[(2,4-dichlorobenzoyl)amino]-2,2,2-trifluoro-1-(methoxycarbonyl)ethyl]amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate #, methyl 2-[(2-{[(2,4-dichlorophenyl)carbonyl]amino}-1,1,1-trifluoro-3-methoxy-3-oxopropan-2-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]-1,1,1-trifluoro-3-methoxy-3-oxopropan-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C21H19Cl2F3N2O5S |
|---|---|
| Molecular Weight | 538.03 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 538.03436 |
| Heavy Atoms | 34 |
| Complexity | 792.0 |
Chemical Identifiers
| CAS Number | 374092-56-5 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCC2)NC(C(=O)OC)(C(F)(F)F)NC(=O)C3=C(C=C(C=C3)Cl)Cl |
| InChIKey | DTUFOCOHNVUADZ-UHFFFAOYSA-N |
Product Overview
Benzothiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[1-(2,4-dichlorobenzoylamino)-2,2,2-trifluoro-1-methoxycarbonylethylamino]-, methyl ester (CAS 374092-56-5), with molecular formula C21H19Cl2F3N2O5S and molecular weight 538.03 g/mol. IUPAC: methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]-1,1,1-trifluoro-3-methoxy-3-oxopropan-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of Benzothiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[1-(2,4-dichlorobenzoylamino)-2,2,2-trifluoro-1-methoxycarbonylethylamino]-, methyl ester
Property Insights of Benzothiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[1-(2,4-dichlorobenzoylamino)-2,2,2-trifluoro-1-methoxycarbonylethylamino]-, methyl ester
The XLogP value of 6.8 indicates that Benzothiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[1-(2,4-dichlorobenzoylamino)-2,2,2-trifluoro-1-methoxycarbonylethylamino]-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzothiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[1-(2,4-dichlorobenzoylamino)-2,2,2-trifluoro-1-methoxycarbonylethylamino]-, methyl ester. Following Lipinski's Rule of Five, Benzothiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[1-(2,4-dichlorobenzoylamino)-2,2,2-trifluoro-1-methoxycarbonylethylamino]-, methyl ester has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzothiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[1-(2,4-dichlorobenzoylamino)-2,2,2-trifluoro-1-methoxycarbonylethylamino]-, methyl ester?
The CAS number of Benzothiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[1-(2,4-dichlorobenzoylamino)-2,2,2-trifluoro-1-methoxycarbonylethylamino]-, methyl ester is 374092-56-5.
What is the molecular formula of Benzothiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[1-(2,4-dichlorobenzoylamino)-2,2,2-trifluoro-1-methoxycarbonylethylamino]-, methyl ester?
The molecular formula of Benzothiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[1-(2,4-dichlorobenzoylamino)-2,2,2-trifluoro-1-methoxycarbonylethylamino]-, methyl ester is C21H19Cl2F3N2O5S.
What is the molecular weight of Benzothiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[1-(2,4-dichlorobenzoylamino)-2,2,2-trifluoro-1-methoxycarbonylethylamino]-, methyl ester?
The molecular weight of Benzothiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[1-(2,4-dichlorobenzoylamino)-2,2,2-trifluoro-1-methoxycarbonylethylamino]-, methyl ester is 538.03 g/mol.
Where can I buy Benzothiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[1-(2,4-dichlorobenzoylamino)-2,2,2-trifluoro-1-methoxycarbonylethylamino]-, methyl ester?
You can request a quote for Benzothiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[1-(2,4-dichlorobenzoylamino)-2,2,2-trifluoro-1-methoxycarbonylethylamino]-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzothiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[1-(2,4-dichlorobenzoylamino)-2,2,2-trifluoro-1-methoxycarbonylethylamino]-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzothiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[1-(2,4-dichlorobenzoylamino)-2,2,2-trifluoro-1-methoxycarbonylethylamino]-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.