![ethyl 2-({N-methyl-N-[(4-methylphenyl)sulfonyl]glycyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](/static/products/7012/701240-07-5.webp)
ethyl 2-({N-methyl-N-[(4-methylphenyl)sulfonyl]glycyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: ethyl 2-({N-methyl-N-[(4-methylphenyl)sulfonyl]glycyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 701240-07-5) is a chemical compound with molecular formula C21H26N2O5S2 and molecular weight 450.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ethyl 2-({N-methyl-N-[(4-methylphenyl)sulfonyl]glycyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-(2-(N,4-dimethylphenylsulfonamido)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C21H26N2O5S2 |
|---|---|
| Molecular Weight | 450.13 g/mol |
| LogP | 3.37122 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 450.12833 |
| Heavy Atoms | 30 |
| Complexity | 1042.0941 |
Chemical Identifiers
| CAS Number | 701240-07-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN(C)S(=O)(=O)C3=CC=C(C=C3)C |
Product Overview
ethyl 2-({N-methyl-N-[(4-methylphenyl)sulfonyl]glycyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 701240-07-5), with molecular formula C21H26N2O5S2 and molecular weight 450.13 g/mol. IUPAC: ethyl 2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-({N-methyl-N-[(4-methylphenyl)sulfonyl]glycyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of ethyl 2-({N-methyl-N-[(4-methylphenyl)sulfonyl]glycyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 3.37122 indicates that ethyl 2-({N-methyl-N-[(4-methylphenyl)sulfonyl]glycyl}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 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-({N-methyl-N-[(4-methylphenyl)sulfonyl]glycyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-({N-methyl-N-[(4-methylphenyl)sulfonyl]glycyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-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-({N-methyl-N-[(4-methylphenyl)sulfonyl]glycyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of ethyl 2-({N-methyl-N-[(4-methylphenyl)sulfonyl]glycyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 701240-07-5.
What is the molecular formula of ethyl 2-({N-methyl-N-[(4-methylphenyl)sulfonyl]glycyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of ethyl 2-({N-methyl-N-[(4-methylphenyl)sulfonyl]glycyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C21H26N2O5S2.
What is the molecular weight of ethyl 2-({N-methyl-N-[(4-methylphenyl)sulfonyl]glycyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of ethyl 2-({N-methyl-N-[(4-methylphenyl)sulfonyl]glycyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 450.13 g/mol.
Where can I buy ethyl 2-({N-methyl-N-[(4-methylphenyl)sulfonyl]glycyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for ethyl 2-({N-methyl-N-[(4-methylphenyl)sulfonyl]glycyl}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-({N-methyl-N-[(4-methylphenyl)sulfonyl]glycyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-({N-methyl-N-[(4-methylphenyl)sulfonyl]glycyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.