![methyl 2-((3-(4-(2-fluorophenyl)piperazin-1-yl)quinoxalin-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate structure](/static/products/385/385419-91-0.png)
methyl 2-((3-(4-(2-fluorophenyl)piperazin-1-yl)quinoxalin-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
TL;DR: methyl 2-((3-(4-(2-fluorophenyl)piperazin-1-yl)quinoxalin-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 385419-91-0) is a chemical compound with molecular formula C28H28FN5O2S and molecular weight 517.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: methyl 2-((3-(4-(2-fluorophenyl)piperazin-1-yl)quinoxalin-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, methyl 2-({3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-[[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C28H28FN5O2S |
|---|---|
| Molecular Weight | 517.19 g/mol |
| LogP | 5.566 |
| Topological Polar Surface Area | 70.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 517.19476 |
| Heavy Atoms | 37 |
| Complexity | 1464.4873 |
Chemical Identifiers
| CAS Number | 385419-91-0 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCC2)NC3=NC4=CC=CC=C4N=C3N5CCN(CC5)C6=CC=CC=C6F |
Product Overview
methyl 2-((3-(4-(2-fluorophenyl)piperazin-1-yl)quinoxalin-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 385419-91-0), with molecular formula C28H28FN5O2S and molecular weight 517.19 g/mol. IUPAC: methyl 2-[[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of methyl 2-((3-(4-(2-fluorophenyl)piperazin-1-yl)quinoxalin-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
Property Insights of methyl 2-((3-(4-(2-fluorophenyl)piperazin-1-yl)quinoxalin-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
The XLogP value of 5.566 indicates that methyl 2-((3-(4-(2-fluorophenyl)piperazin-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 methyl 2-((3-(4-(2-fluorophenyl)piperazin-1-yl)quinoxalin-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-((3-(4-(2-fluorophenyl)piperazin-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 methyl 2-((3-(4-(2-fluorophenyl)piperazin-1-yl)quinoxalin-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The CAS number of methyl 2-((3-(4-(2-fluorophenyl)piperazin-1-yl)quinoxalin-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 385419-91-0.
What is the molecular formula of methyl 2-((3-(4-(2-fluorophenyl)piperazin-1-yl)quinoxalin-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular formula of methyl 2-((3-(4-(2-fluorophenyl)piperazin-1-yl)quinoxalin-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is C28H28FN5O2S.
What is the molecular weight of methyl 2-((3-(4-(2-fluorophenyl)piperazin-1-yl)quinoxalin-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular weight of methyl 2-((3-(4-(2-fluorophenyl)piperazin-1-yl)quinoxalin-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 517.19 g/mol.
Where can I buy methyl 2-((3-(4-(2-fluorophenyl)piperazin-1-yl)quinoxalin-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
You can request a quote for methyl 2-((3-(4-(2-fluorophenyl)piperazin-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 methyl 2-((3-(4-(2-fluorophenyl)piperazin-1-yl)quinoxalin-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-((3-(4-(2-fluorophenyl)piperazin-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.