![ethyl 2-(4-(methylthio)phenylsulfonamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate structure](/static/products/830/830353-96-3.png)
ethyl 2-(4-(methylthio)phenylsulfonamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
TL;DR: ethyl 2-(4-(methylthio)phenylsulfonamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 830353-96-3) is a chemical compound with molecular formula C18H21NO4S3 and molecular weight 411.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-methylsulfanylphenyl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ethyl 2-(4-(methylthio)phenylsulfonamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-({[4-(methylsulfanyl)phenyl]sulfonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[(4-methylsulfanylphenyl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C18H21NO4S3 |
|---|---|
| Molecular Weight | 411.06 g/mol |
| LogP | 4.3263 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.06326 |
| Heavy Atoms | 26 |
| Complexity | 901.2626 |
Chemical Identifiers
| CAS Number | 830353-96-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NS(=O)(=O)C3=CC=C(C=C3)SC |
Product Overview
ethyl 2-(4-(methylthio)phenylsulfonamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 830353-96-3), with molecular formula C18H21NO4S3 and molecular weight 411.06 g/mol. IUPAC: ethyl 2-[(4-methylsulfanylphenyl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-(4-(methylthio)phenylsulfonamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
Property Insights of ethyl 2-(4-(methylthio)phenylsulfonamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
The XLogP value of 4.3263 indicates that ethyl 2-(4-(methylthio)phenylsulfonamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(4-(methylthio)phenylsulfonamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-(4-(methylthio)phenylsulfonamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate has 1 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-(methylthio)phenylsulfonamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The CAS number of ethyl 2-(4-(methylthio)phenylsulfonamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 830353-96-3.
What is the molecular formula of ethyl 2-(4-(methylthio)phenylsulfonamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular formula of ethyl 2-(4-(methylthio)phenylsulfonamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is C18H21NO4S3.
What is the molecular weight of ethyl 2-(4-(methylthio)phenylsulfonamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular weight of ethyl 2-(4-(methylthio)phenylsulfonamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 411.06 g/mol.
Where can I buy ethyl 2-(4-(methylthio)phenylsulfonamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
You can request a quote for ethyl 2-(4-(methylthio)phenylsulfonamido)-4,5,6,7-tetrahydrobenzo[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-(methylthio)phenylsulfonamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(4-(methylthio)phenylsulfonamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.