2-Ethylbutyl 2-cyano-2-(3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)acetate
TL;DR: 2-Ethylbutyl 2-cyano-2-(3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)acetate (CAS 843620-41-7) is a chemical compound with molecular formula C22H29N5O2 and molecular weight 395.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylbutyl 2-cyano-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetate
Also Known As: VU0604848-1, 2-ethylbutyl 2-cyano-2-(3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)acetate, AB01303089-01, 2-ethylbutyl 2-cyano-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetate, F3225-4780
| Molecular Formula | C22H29N5O2 |
|---|---|
| Molecular Weight | 395.23 g/mol |
| LogP | 2.96818 |
| Topological Polar Surface Area | 82.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 395.23212 |
| Heavy Atoms | 29 |
| Complexity | 882.3919 |
Chemical Identifiers
| CAS Number | 843620-41-7 |
|---|---|
| SMILES | CCC(CC)COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)C |
Product Overview
2-Ethylbutyl 2-cyano-2-(3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)acetate (CAS 843620-41-7), with molecular formula C22H29N5O2 and molecular weight 395.23 g/mol. IUPAC: 2-ethylbutyl 2-cyano-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetate.
Chemical Property Profile of 2-Ethylbutyl 2-cyano-2-(3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)acetate
Property Insights of 2-Ethylbutyl 2-cyano-2-(3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)acetate
The XLogP value of 2.96818 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethylbutyl 2-cyano-2-(3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)acetate. The TPSA of 82.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Ethylbutyl 2-cyano-2-(3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)acetate. Following Lipinski's Rule of Five, 2-Ethylbutyl 2-cyano-2-(3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)acetate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Ethylbutyl 2-cyano-2-(3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)acetate?
The CAS number of 2-Ethylbutyl 2-cyano-2-(3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)acetate is 843620-41-7.
What is the molecular formula of 2-Ethylbutyl 2-cyano-2-(3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)acetate?
The molecular formula of 2-Ethylbutyl 2-cyano-2-(3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)acetate is C22H29N5O2.
What is the molecular weight of 2-Ethylbutyl 2-cyano-2-(3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)acetate?
The molecular weight of 2-Ethylbutyl 2-cyano-2-(3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)acetate is 395.23 g/mol.
Where can I buy 2-Ethylbutyl 2-cyano-2-(3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)acetate?
You can request a quote for 2-Ethylbutyl 2-cyano-2-(3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethylbutyl 2-cyano-2-(3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylbutyl 2-cyano-2-(3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.