![ethyl 2-({[(4,5,6,7-tetrahydrobenzo[b]thiophen-3-ylcarbonylamino)amino]thioxom ethyl}amino)-4,5,6,7,8-pentahydrocyclohepta[2,1-b]thiophene-3-carboxylate structure](/static/products/5903/590350-38-2.webp)
ethyl 2-({[(4,5,6,7-tetrahydrobenzo[b]thiophen-3-ylcarbonylamino)amino]thioxom ethyl}amino)-4,5,6,7,8-pentahydrocyclohepta[2,1-b]thiophene-3-carboxylate
TL;DR: ethyl 2-({[(4,5,6,7-tetrahydrobenzo[b]thiophen-3-ylcarbonylamino)amino]thioxom ethyl}amino)-4,5,6,7,8-pentahydrocyclohepta[2,1-b]thiophene-3-carboxylate (CAS 590350-38-2) is a chemical compound with molecular formula C22H27N3O3S3 and molecular weight 477.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: ethyl 2-({[(4,5,6,7-tetrahydrobenzo[b]thiophen-3-ylcarbonylamino)amino]thioxom ethyl}amino)-4,5,6,7,8-pentahydrocyclohepta[2,1-b]thiophene-3-carboxylate, ethyl 2-({[2-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylcarbonyl)hydrazinyl]carbonothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, ethyl 2-(2-(4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonyl)hydrazinecarbothioamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, ethyl 2-[(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
| Molecular Formula | C22H27N3O3S3 |
|---|---|
| Molecular Weight | 477.12 g/mol |
| LogP | 4.7654 |
| Topological Polar Surface Area | 79.46 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 477.12146 |
| Heavy Atoms | 31 |
| Complexity | 995.7785 |
Chemical Identifiers
| CAS Number | 590350-38-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NNC(=O)C3=CSC4=C3CCCC4 |
Product Overview
ethyl 2-({[(4,5,6,7-tetrahydrobenzo[b]thiophen-3-ylcarbonylamino)amino]thioxom ethyl}amino)-4,5,6,7,8-pentahydrocyclohepta[2,1-b]thiophene-3-carboxylate (CAS 590350-38-2), with molecular formula C22H27N3O3S3 and molecular weight 477.12 g/mol. IUPAC: ethyl 2-[(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-({[(4,5,6,7-tetrahydrobenzo[b]thiophen-3-ylcarbonylamino)amino]thioxom ethyl}amino)-4,5,6,7,8-pentahydrocyclohepta[2,1-b]thiophene-3-carboxylate
Property Insights of ethyl 2-({[(4,5,6,7-tetrahydrobenzo[b]thiophen-3-ylcarbonylamino)amino]thioxom ethyl}amino)-4,5,6,7,8-pentahydrocyclohepta[2,1-b]thiophene-3-carboxylate
The XLogP value of 4.7654 indicates that ethyl 2-({[(4,5,6,7-tetrahydrobenzo[b]thiophen-3-ylcarbonylamino)amino]thioxom ethyl}amino)-4,5,6,7,8-pentahydrocyclohepta[2,1-b]thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.46 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-({[(4,5,6,7-tetrahydrobenzo[b]thiophen-3-ylcarbonylamino)amino]thioxom ethyl}amino)-4,5,6,7,8-pentahydrocyclohepta[2,1-b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-({[(4,5,6,7-tetrahydrobenzo[b]thiophen-3-ylcarbonylamino)amino]thioxom ethyl}amino)-4,5,6,7,8-pentahydrocyclohepta[2,1-b]thiophene-3-carboxylate has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2-({[(4,5,6,7-tetrahydrobenzo[b]thiophen-3-ylcarbonylamino)amino]thioxom ethyl}amino)-4,5,6,7,8-pentahydrocyclohepta[2,1-b]thiophene-3-carboxylate?
The CAS number of ethyl 2-({[(4,5,6,7-tetrahydrobenzo[b]thiophen-3-ylcarbonylamino)amino]thioxom ethyl}amino)-4,5,6,7,8-pentahydrocyclohepta[2,1-b]thiophene-3-carboxylate is 590350-38-2.
What is the molecular formula of ethyl 2-({[(4,5,6,7-tetrahydrobenzo[b]thiophen-3-ylcarbonylamino)amino]thioxom ethyl}amino)-4,5,6,7,8-pentahydrocyclohepta[2,1-b]thiophene-3-carboxylate?
The molecular formula of ethyl 2-({[(4,5,6,7-tetrahydrobenzo[b]thiophen-3-ylcarbonylamino)amino]thioxom ethyl}amino)-4,5,6,7,8-pentahydrocyclohepta[2,1-b]thiophene-3-carboxylate is C22H27N3O3S3.
What is the molecular weight of ethyl 2-({[(4,5,6,7-tetrahydrobenzo[b]thiophen-3-ylcarbonylamino)amino]thioxom ethyl}amino)-4,5,6,7,8-pentahydrocyclohepta[2,1-b]thiophene-3-carboxylate?
The molecular weight of ethyl 2-({[(4,5,6,7-tetrahydrobenzo[b]thiophen-3-ylcarbonylamino)amino]thioxom ethyl}amino)-4,5,6,7,8-pentahydrocyclohepta[2,1-b]thiophene-3-carboxylate is 477.12 g/mol.
Where can I buy ethyl 2-({[(4,5,6,7-tetrahydrobenzo[b]thiophen-3-ylcarbonylamino)amino]thioxom ethyl}amino)-4,5,6,7,8-pentahydrocyclohepta[2,1-b]thiophene-3-carboxylate?
You can request a quote for ethyl 2-({[(4,5,6,7-tetrahydrobenzo[b]thiophen-3-ylcarbonylamino)amino]thioxom ethyl}amino)-4,5,6,7,8-pentahydrocyclohepta[2,1-b]thiophene-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-({[(4,5,6,7-tetrahydrobenzo[b]thiophen-3-ylcarbonylamino)amino]thioxom ethyl}amino)-4,5,6,7,8-pentahydrocyclohepta[2,1-b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-({[(4,5,6,7-tetrahydrobenzo[b]thiophen-3-ylcarbonylamino)amino]thioxom ethyl}amino)-4,5,6,7,8-pentahydrocyclohepta[2,1-b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.