![ethyl 2-{[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)quinoxalin-2-yl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](/static/products/5165/516503-75-6.webp)
ethyl 2-{[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)quinoxalin-2-yl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: ethyl 2-{[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)quinoxalin-2-yl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 516503-75-6) is a chemical compound with molecular formula C28H28N4O2S and molecular weight 484.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)quinoxalin-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ethyl 2-{[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)quinoxalin-2-yl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)quinoxalin-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C28H28N4O2S |
|---|---|
| Molecular Weight | 484.19 g/mol |
| LogP | 6.0531 |
| Topological Polar Surface Area | 67.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 484.1933 |
| Heavy Atoms | 35 |
| Complexity | 1413.607 |
Chemical Identifiers
| CAS Number | 516503-75-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC3=NC4=CC=CC=C4N=C3N5CCC6=CC=CC=C6C5 |
Product Overview
ethyl 2-{[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)quinoxalin-2-yl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 516503-75-6), with molecular formula C28H28N4O2S and molecular weight 484.19 g/mol. IUPAC: ethyl 2-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)quinoxalin-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-{[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)quinoxalin-2-yl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of ethyl 2-{[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)quinoxalin-2-yl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 6.0531 indicates that ethyl 2-{[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)quinoxalin-2-yl]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 67.35 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-{[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)quinoxalin-2-yl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-{[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)quinoxalin-2-yl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2-{[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)quinoxalin-2-yl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of ethyl 2-{[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)quinoxalin-2-yl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 516503-75-6.
What is the molecular formula of ethyl 2-{[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)quinoxalin-2-yl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of ethyl 2-{[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)quinoxalin-2-yl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C28H28N4O2S.
What is the molecular weight of ethyl 2-{[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)quinoxalin-2-yl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of ethyl 2-{[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)quinoxalin-2-yl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 484.19 g/mol.
Where can I buy ethyl 2-{[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)quinoxalin-2-yl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for ethyl 2-{[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)quinoxalin-2-yl]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-{[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)quinoxalin-2-yl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-{[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)quinoxalin-2-yl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.