![Methyl 2-(2-tosylacetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate structure](/static/products/895/895449-93-1.png)
Methyl 2-(2-tosylacetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
TL;DR: Methyl 2-(2-tosylacetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 895449-93-1) is a chemical compound with molecular formula C19H21NO5S2 and molecular weight 407.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-(4-methylphenyl)sulfonylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: G856-7192, methyl 2-[2-(4-methylbenzenesulfonyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, F2536-0143, methyl 2-(2-tosylacetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, methyl 2-[[2-(4-methylphenyl)sulfonylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C19H21NO5S2 |
|---|---|
| Molecular Weight | 407.09 g/mol |
| LogP | 3.13432 |
| Topological Polar Surface Area | 89.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 407.08612 |
| Heavy Atoms | 27 |
| Complexity | 974.2741 |
Chemical Identifiers
| CAS Number | 895449-93-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC |
Product Overview
Methyl 2-(2-tosylacetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 895449-93-1), with molecular formula C19H21NO5S2 and molecular weight 407.09 g/mol. IUPAC: methyl 2-[[2-(4-methylphenyl)sulfonylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of Methyl 2-(2-tosylacetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
Property Insights of Methyl 2-(2-tosylacetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
The XLogP value of 3.13432 indicates that Methyl 2-(2-tosylacetamido)-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 89.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(2-tosylacetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, Methyl 2-(2-tosylacetamido)-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 Methyl 2-(2-tosylacetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The CAS number of Methyl 2-(2-tosylacetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 895449-93-1.
What is the molecular formula of Methyl 2-(2-tosylacetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular formula of Methyl 2-(2-tosylacetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is C19H21NO5S2.
What is the molecular weight of Methyl 2-(2-tosylacetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular weight of Methyl 2-(2-tosylacetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 407.09 g/mol.
Where can I buy Methyl 2-(2-tosylacetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
You can request a quote for Methyl 2-(2-tosylacetamido)-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 Methyl 2-(2-tosylacetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(2-tosylacetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.