![ethyl 6-(2-methylbutan-2-yl)-2-{[(thiophen-2-ylcarbonyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](/static/products/461/461042-50-2.png)
ethyl 6-(2-methylbutan-2-yl)-2-{[(thiophen-2-ylcarbonyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: ethyl 6-(2-methylbutan-2-yl)-2-{[(thiophen-2-ylcarbonyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 461042-50-2) is a chemical compound with molecular formula C22H28N2O3S3 and molecular weight 464.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-(2-methylbutan-2-yl)-2-(thiophene-2-carbonylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ethyl 6-(2-methylbutan-2-yl)-2-{[(thiophen-2-ylcarbonyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 6-(tert-pentyl)-2-(3-(thiophene-2-carbonyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 6-(2-methylbutan-2-yl)-2-(thiophene-2-carbonylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C22H28N2O3S3 |
|---|---|
| Molecular Weight | 464.13 g/mol |
| LogP | 5.6542 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 464.12622 |
| Heavy Atoms | 30 |
| Complexity | 931.8296 |
Chemical Identifiers
| CAS Number | 461042-50-2 |
|---|---|
| SMILES | CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=S)NC(=O)C3=CC=CS3 |
Product Overview
ethyl 6-(2-methylbutan-2-yl)-2-{[(thiophen-2-ylcarbonyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 461042-50-2), with molecular formula C22H28N2O3S3 and molecular weight 464.13 g/mol. IUPAC: ethyl 6-(2-methylbutan-2-yl)-2-(thiophene-2-carbonylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of ethyl 6-(2-methylbutan-2-yl)-2-{[(thiophen-2-ylcarbonyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of ethyl 6-(2-methylbutan-2-yl)-2-{[(thiophen-2-ylcarbonyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 5.6542 indicates that ethyl 6-(2-methylbutan-2-yl)-2-{[(thiophen-2-ylcarbonyl)carbamothioyl]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 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 6-(2-methylbutan-2-yl)-2-{[(thiophen-2-ylcarbonyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 6-(2-methylbutan-2-yl)-2-{[(thiophen-2-ylcarbonyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate 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 ethyl 6-(2-methylbutan-2-yl)-2-{[(thiophen-2-ylcarbonyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of ethyl 6-(2-methylbutan-2-yl)-2-{[(thiophen-2-ylcarbonyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 461042-50-2.
What is the molecular formula of ethyl 6-(2-methylbutan-2-yl)-2-{[(thiophen-2-ylcarbonyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of ethyl 6-(2-methylbutan-2-yl)-2-{[(thiophen-2-ylcarbonyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C22H28N2O3S3.
What is the molecular weight of ethyl 6-(2-methylbutan-2-yl)-2-{[(thiophen-2-ylcarbonyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of ethyl 6-(2-methylbutan-2-yl)-2-{[(thiophen-2-ylcarbonyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 464.13 g/mol.
Where can I buy ethyl 6-(2-methylbutan-2-yl)-2-{[(thiophen-2-ylcarbonyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for ethyl 6-(2-methylbutan-2-yl)-2-{[(thiophen-2-ylcarbonyl)carbamothioyl]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 6-(2-methylbutan-2-yl)-2-{[(thiophen-2-ylcarbonyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 6-(2-methylbutan-2-yl)-2-{[(thiophen-2-ylcarbonyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.