ethyl 2-((3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)amino)-4-(p-tolyl)thiophene-3-carboxylate
TL;DR: ethyl 2-((3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)amino)-4-(p-tolyl)thiophene-3-carboxylate (CAS 500197-68-2) is a chemical compound with molecular formula C27H29N5O2S and molecular weight 487.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-methylphenyl)-2-[[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]amino]thiophene-3-carboxylate
Also Known As: ethyl 2-((3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)amino)-4-(p-tolyl)thiophene-3-carboxylate, ethyl 4-(4-methylphenyl)-2-[[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]amino]thiophene-3-carboxylate, ethyl 4-(4-methylphenyl)-2-{[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]amino}thiophene-3-carboxylate
| Molecular Formula | C27H29N5O2S |
|---|---|
| Molecular Weight | 487.20 g/mol |
| LogP | 5.33882 |
| Topological Polar Surface Area | 70.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 487.2042 |
| Heavy Atoms | 35 |
| Complexity | 1343.7029 |
Chemical Identifiers
| CAS Number | 500197-68-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC3=NC4=CC=CC=C4N=C3N5CCN(CC5)C |
Product Overview
ethyl 2-((3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)amino)-4-(p-tolyl)thiophene-3-carboxylate (CAS 500197-68-2), with molecular formula C27H29N5O2S and molecular weight 487.20 g/mol. IUPAC: ethyl 4-(4-methylphenyl)-2-[[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]amino]thiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-((3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)amino)-4-(p-tolyl)thiophene-3-carboxylate
Property Insights of ethyl 2-((3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)amino)-4-(p-tolyl)thiophene-3-carboxylate
The XLogP value of 5.33882 indicates that ethyl 2-((3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)amino)-4-(p-tolyl)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 ethyl 2-((3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)amino)-4-(p-tolyl)thiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-((3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)amino)-4-(p-tolyl)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 ethyl 2-((3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)amino)-4-(p-tolyl)thiophene-3-carboxylate?
The CAS number of ethyl 2-((3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)amino)-4-(p-tolyl)thiophene-3-carboxylate is 500197-68-2.
What is the molecular formula of ethyl 2-((3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)amino)-4-(p-tolyl)thiophene-3-carboxylate?
The molecular formula of ethyl 2-((3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)amino)-4-(p-tolyl)thiophene-3-carboxylate is C27H29N5O2S.
What is the molecular weight of ethyl 2-((3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)amino)-4-(p-tolyl)thiophene-3-carboxylate?
The molecular weight of ethyl 2-((3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)amino)-4-(p-tolyl)thiophene-3-carboxylate is 487.20 g/mol.
Where can I buy ethyl 2-((3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)amino)-4-(p-tolyl)thiophene-3-carboxylate?
You can request a quote for ethyl 2-((3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)amino)-4-(p-tolyl)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 ethyl 2-((3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)amino)-4-(p-tolyl)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-((3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)amino)-4-(p-tolyl)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.