![ethyl 2-{[N-(4-methoxyphenyl)-N-(methylsulfonyl)glycyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](/static/products/6932/693270-13-2.webp)
ethyl 2-{[N-(4-methoxyphenyl)-N-(methylsulfonyl)glycyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: ethyl 2-{[N-(4-methoxyphenyl)-N-(methylsulfonyl)glycyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 693270-13-2) is a chemical compound with molecular formula C21H26N2O6S2 and molecular weight 466.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(4-methoxy-N-methylsulfonylanilino)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ethyl 2-{[N-(4-methoxyphenyl)-N-(methylsulfonyl)glycyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-(2-(N-(4-methoxyphenyl)methylsulfonamido)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-[[2-(4-methoxy-N-methylsulfonylanilino)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C21H26N2O6S2 |
|---|---|
| Molecular Weight | 466.12 g/mol |
| LogP | 3.2169 |
| Topological Polar Surface Area | 102.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 466.12323 |
| Heavy Atoms | 31 |
| Complexity | 1060.2843 |
Chemical Identifiers
| CAS Number | 693270-13-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN(C3=CC=C(C=C3)OC)S(=O)(=O)C |
Product Overview
ethyl 2-{[N-(4-methoxyphenyl)-N-(methylsulfonyl)glycyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 693270-13-2), with molecular formula C21H26N2O6S2 and molecular weight 466.12 g/mol. IUPAC: ethyl 2-[[2-(4-methoxy-N-methylsulfonylanilino)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-{[N-(4-methoxyphenyl)-N-(methylsulfonyl)glycyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of ethyl 2-{[N-(4-methoxyphenyl)-N-(methylsulfonyl)glycyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 3.2169 indicates that ethyl 2-{[N-(4-methoxyphenyl)-N-(methylsulfonyl)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 102.01 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-{[N-(4-methoxyphenyl)-N-(methylsulfonyl)glycyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-{[N-(4-methoxyphenyl)-N-(methylsulfonyl)glycyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate has 1 hydrogen bond donor(s) and 7 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-(4-methoxyphenyl)-N-(methylsulfonyl)glycyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of ethyl 2-{[N-(4-methoxyphenyl)-N-(methylsulfonyl)glycyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 693270-13-2.
What is the molecular formula of ethyl 2-{[N-(4-methoxyphenyl)-N-(methylsulfonyl)glycyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of ethyl 2-{[N-(4-methoxyphenyl)-N-(methylsulfonyl)glycyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C21H26N2O6S2.
What is the molecular weight of ethyl 2-{[N-(4-methoxyphenyl)-N-(methylsulfonyl)glycyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of ethyl 2-{[N-(4-methoxyphenyl)-N-(methylsulfonyl)glycyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 466.12 g/mol.
Where can I buy ethyl 2-{[N-(4-methoxyphenyl)-N-(methylsulfonyl)glycyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for ethyl 2-{[N-(4-methoxyphenyl)-N-(methylsulfonyl)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-(4-methoxyphenyl)-N-(methylsulfonyl)glycyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-{[N-(4-methoxyphenyl)-N-(methylsulfonyl)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.