ethyl 1-(3-((3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl)amino)quinoxalin-2-yl)piperidine-3-carboxylate
TL;DR: ethyl 1-(3-((3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl)amino)quinoxalin-2-yl)piperidine-3-carboxylate (CAS 488129-58-4) is a chemical compound with molecular formula C25H30N4O4S and molecular weight 482.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[3-[(3-ethoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]quinoxalin-2-yl]piperidine-3-carboxylate
Also Known As: ethyl 1-(3-((3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl)amino)quinoxalin-2-yl)piperidine-3-carboxylate, ethyl 1-(3-{[3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]amino}quinoxalin-2-yl)piperidine-3-carboxylate, ethyl 1-[3-[(3-ethoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]quinoxalin-2-yl]piperidine-3-carboxylate
| Molecular Formula | C25H30N4O4S |
|---|---|
| Molecular Weight | 482.20 g/mol |
| LogP | 5.00794 |
| Topological Polar Surface Area | 93.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 482.1988 |
| Heavy Atoms | 34 |
| Complexity | 1209.089 |
Chemical Identifiers
| CAS Number | 488129-58-4 |
|---|---|
| SMILES | CCOC(=O)C1CCCN(C1)C2=NC3=CC=CC=C3N=C2NC4=C(C(=C(S4)C)C)C(=O)OCC |
Product Overview
ethyl 1-(3-((3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl)amino)quinoxalin-2-yl)piperidine-3-carboxylate (CAS 488129-58-4), with molecular formula C25H30N4O4S and molecular weight 482.20 g/mol. IUPAC: ethyl 1-[3-[(3-ethoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]quinoxalin-2-yl]piperidine-3-carboxylate.
Chemical Property Profile of ethyl 1-(3-((3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl)amino)quinoxalin-2-yl)piperidine-3-carboxylate
Property Insights of ethyl 1-(3-((3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl)amino)quinoxalin-2-yl)piperidine-3-carboxylate
The XLogP value of 5.00794 indicates that ethyl 1-(3-((3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl)amino)quinoxalin-2-yl)piperidine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.65 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 1-(3-((3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl)amino)quinoxalin-2-yl)piperidine-3-carboxylate. Following Lipinski's Rule of Five, ethyl 1-(3-((3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl)amino)quinoxalin-2-yl)piperidine-3-carboxylate has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 1-(3-((3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl)amino)quinoxalin-2-yl)piperidine-3-carboxylate?
The CAS number of ethyl 1-(3-((3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl)amino)quinoxalin-2-yl)piperidine-3-carboxylate is 488129-58-4.
What is the molecular formula of ethyl 1-(3-((3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl)amino)quinoxalin-2-yl)piperidine-3-carboxylate?
The molecular formula of ethyl 1-(3-((3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl)amino)quinoxalin-2-yl)piperidine-3-carboxylate is C25H30N4O4S.
What is the molecular weight of ethyl 1-(3-((3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl)amino)quinoxalin-2-yl)piperidine-3-carboxylate?
The molecular weight of ethyl 1-(3-((3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl)amino)quinoxalin-2-yl)piperidine-3-carboxylate is 482.20 g/mol.
Where can I buy ethyl 1-(3-((3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl)amino)quinoxalin-2-yl)piperidine-3-carboxylate?
You can request a quote for ethyl 1-(3-((3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl)amino)quinoxalin-2-yl)piperidine-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 1-(3-((3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl)amino)quinoxalin-2-yl)piperidine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 1-(3-((3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl)amino)quinoxalin-2-yl)piperidine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.