![(E)-ethyl 2-((3-(4-styrylpiperazin-1-yl)quinoxalin-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate structure](/static/products/369/369396-18-9.png)
(E)-ethyl 2-((3-(4-styrylpiperazin-1-yl)quinoxalin-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
TL;DR: (E)-ethyl 2-((3-(4-styrylpiperazin-1-yl)quinoxalin-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 369396-18-9) is a chemical compound with molecular formula C31H33N5O2S and molecular weight 539.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[3-[4-[(E)-2-phenylethenyl]piperazin-1-yl]quinoxalin-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: (E)-ethyl 2-((3-(4-styrylpiperazin-1-yl)quinoxalin-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-[(3-{4-[(E)-2-phenylethenyl]piperazin-1-yl}quinoxalin-2-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[[3-[4-[(E)-2-phenylethenyl]piperazin-1-yl]quinoxalin-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C31H33N5O2S |
|---|---|
| Molecular Weight | 539.24 g/mol |
| LogP | 6.2833 |
| Topological Polar Surface Area | 70.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 539.2355 |
| Heavy Atoms | 39 |
| Complexity | 1491.899 |
Chemical Identifiers
| CAS Number | 369396-18-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC3=NC4=CC=CC=C4N=C3N5CCN(CC5)/C=C/C6=CC=CC=C6 |
Product Overview
(E)-ethyl 2-((3-(4-styrylpiperazin-1-yl)quinoxalin-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 369396-18-9), with molecular formula C31H33N5O2S and molecular weight 539.24 g/mol. IUPAC: ethyl 2-[[3-[4-[(E)-2-phenylethenyl]piperazin-1-yl]quinoxalin-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of (E)-ethyl 2-((3-(4-styrylpiperazin-1-yl)quinoxalin-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
Property Insights of (E)-ethyl 2-((3-(4-styrylpiperazin-1-yl)quinoxalin-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
The XLogP value of 6.2833 indicates that (E)-ethyl 2-((3-(4-styrylpiperazin-1-yl)quinoxalin-2-yl)amino)-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 70.59 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-ethyl 2-((3-(4-styrylpiperazin-1-yl)quinoxalin-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, (E)-ethyl 2-((3-(4-styrylpiperazin-1-yl)quinoxalin-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-ethyl 2-((3-(4-styrylpiperazin-1-yl)quinoxalin-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The CAS number of (E)-ethyl 2-((3-(4-styrylpiperazin-1-yl)quinoxalin-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 369396-18-9.
What is the molecular formula of (E)-ethyl 2-((3-(4-styrylpiperazin-1-yl)quinoxalin-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular formula of (E)-ethyl 2-((3-(4-styrylpiperazin-1-yl)quinoxalin-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is C31H33N5O2S.
What is the molecular weight of (E)-ethyl 2-((3-(4-styrylpiperazin-1-yl)quinoxalin-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular weight of (E)-ethyl 2-((3-(4-styrylpiperazin-1-yl)quinoxalin-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 539.24 g/mol.
Where can I buy (E)-ethyl 2-((3-(4-styrylpiperazin-1-yl)quinoxalin-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
You can request a quote for (E)-ethyl 2-((3-(4-styrylpiperazin-1-yl)quinoxalin-2-yl)amino)-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 (E)-ethyl 2-((3-(4-styrylpiperazin-1-yl)quinoxalin-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 2-((3-(4-styrylpiperazin-1-yl)quinoxalin-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.