ethyl 4-((3-((3-methyl-1-phenyl-1H-pyrazol-5-yl)amino)quinoxalin-2-yl)amino)benzoate
TL;DR: ethyl 4-((3-((3-methyl-1-phenyl-1H-pyrazol-5-yl)amino)quinoxalin-2-yl)amino)benzoate (CAS 955890-86-5) is a chemical compound with molecular formula C27H24N6O2 and molecular weight 464.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[3-[(5-methyl-2-phenylpyrazol-3-yl)amino]quinoxalin-2-yl]amino]benzoate
Also Known As: ethyl 4-((3-((3-methyl-1-phenyl-1H-pyrazol-5-yl)amino)quinoxalin-2-yl)amino)benzoate, ethyl 4-({3-[(3-methyl-1-phenyl-1H-pyrazol-5-yl)amino]quinoxalin-2-yl}amino)benzoate, Ethyl 4-[[3-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]quinoxalin-2-yl]amino]benzoate, ethyl 4-[[3-[(5-methyl-2-phenylpyrazol-3-yl)amino]quinoxalin-2-yl]amino]benzoate
| Molecular Formula | C27H24N6O2 |
|---|---|
| Molecular Weight | 464.20 g/mol |
| LogP | 5.78782 |
| Topological Polar Surface Area | 93.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 464.19608 |
| Heavy Atoms | 35 |
| Complexity | 1479.3872 |
Chemical Identifiers
| CAS Number | 955890-86-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2NC4=CC(=NN4C5=CC=CC=C5)C |
Product Overview
ethyl 4-((3-((3-methyl-1-phenyl-1H-pyrazol-5-yl)amino)quinoxalin-2-yl)amino)benzoate (CAS 955890-86-5), with molecular formula C27H24N6O2 and molecular weight 464.20 g/mol. IUPAC: ethyl 4-[[3-[(5-methyl-2-phenylpyrazol-3-yl)amino]quinoxalin-2-yl]amino]benzoate.
Chemical Property Profile of ethyl 4-((3-((3-methyl-1-phenyl-1H-pyrazol-5-yl)amino)quinoxalin-2-yl)amino)benzoate
Property Insights of ethyl 4-((3-((3-methyl-1-phenyl-1H-pyrazol-5-yl)amino)quinoxalin-2-yl)amino)benzoate
The XLogP value of 5.78782 indicates that ethyl 4-((3-((3-methyl-1-phenyl-1H-pyrazol-5-yl)amino)quinoxalin-2-yl)amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.96 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-((3-((3-methyl-1-phenyl-1H-pyrazol-5-yl)amino)quinoxalin-2-yl)amino)benzoate. Following Lipinski's Rule of Five, ethyl 4-((3-((3-methyl-1-phenyl-1H-pyrazol-5-yl)amino)quinoxalin-2-yl)amino)benzoate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 4-((3-((3-methyl-1-phenyl-1H-pyrazol-5-yl)amino)quinoxalin-2-yl)amino)benzoate?
The CAS number of ethyl 4-((3-((3-methyl-1-phenyl-1H-pyrazol-5-yl)amino)quinoxalin-2-yl)amino)benzoate is 955890-86-5.
What is the molecular formula of ethyl 4-((3-((3-methyl-1-phenyl-1H-pyrazol-5-yl)amino)quinoxalin-2-yl)amino)benzoate?
The molecular formula of ethyl 4-((3-((3-methyl-1-phenyl-1H-pyrazol-5-yl)amino)quinoxalin-2-yl)amino)benzoate is C27H24N6O2.
What is the molecular weight of ethyl 4-((3-((3-methyl-1-phenyl-1H-pyrazol-5-yl)amino)quinoxalin-2-yl)amino)benzoate?
The molecular weight of ethyl 4-((3-((3-methyl-1-phenyl-1H-pyrazol-5-yl)amino)quinoxalin-2-yl)amino)benzoate is 464.20 g/mol.
Where can I buy ethyl 4-((3-((3-methyl-1-phenyl-1H-pyrazol-5-yl)amino)quinoxalin-2-yl)amino)benzoate?
You can request a quote for ethyl 4-((3-((3-methyl-1-phenyl-1H-pyrazol-5-yl)amino)quinoxalin-2-yl)amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-((3-((3-methyl-1-phenyl-1H-pyrazol-5-yl)amino)quinoxalin-2-yl)amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-((3-((3-methyl-1-phenyl-1H-pyrazol-5-yl)amino)quinoxalin-2-yl)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.