2-(2-((4-amino-6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-2-yl)amino)ethoxy)ethanol
TL;DR: 2-(2-((4-amino-6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-2-yl)amino)ethoxy)ethanol (CAS 714918-34-0) is a chemical compound with molecular formula C19H27N7O4 and molecular weight 417.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[[4-amino-6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-2-yl]amino]ethoxy]ethanol
Also Known As: 2-(2-((4-amino-6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-2-yl)amino)ethoxy)ethanol, 2-(2-{[4-amino-6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-2-yl]amino}ethoxy)ethanol, 2-[2-[[4-amino-6-(4-benzylpiperazin-1-yl)-5-nitro-pyrimidin-2-yl]amino]ethoxy]ethanol, 2-[2-[[4-amino-6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-2-yl]amino]ethoxy]ethanol
| Molecular Formula | C19H27N7O4 |
|---|---|
| Molecular Weight | 417.21 g/mol |
| LogP | 0.71 |
| Topological Polar Surface Area | 142.91 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 417.21246 |
| Heavy Atoms | 30 |
| Complexity | 829.1327 |
Chemical Identifiers
| CAS Number | 714918-34-0 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C3=NC(=NC(=C3[N+](=O)[O-])N)NCCOCCO |
Product Overview
2-(2-((4-amino-6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-2-yl)amino)ethoxy)ethanol (CAS 714918-34-0), with molecular formula C19H27N7O4 and molecular weight 417.21 g/mol. IUPAC: 2-[2-[[4-amino-6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-2-yl]amino]ethoxy]ethanol.
Chemical Property Profile of 2-(2-((4-amino-6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-2-yl)amino)ethoxy)ethanol
Property Insights of 2-(2-((4-amino-6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-2-yl)amino)ethoxy)ethanol
The XLogP value of 0.71 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-((4-amino-6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-2-yl)amino)ethoxy)ethanol. The TPSA of 142.91 Ų indicates high polarity, suggesting 2-(2-((4-amino-6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-2-yl)amino)ethoxy)ethanol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(2-((4-amino-6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-2-yl)amino)ethoxy)ethanol has 3 hydrogen bond donor(s) and 10 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-(2-((4-amino-6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-2-yl)amino)ethoxy)ethanol?
The CAS number of 2-(2-((4-amino-6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-2-yl)amino)ethoxy)ethanol is 714918-34-0.
What is the molecular formula of 2-(2-((4-amino-6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-2-yl)amino)ethoxy)ethanol?
The molecular formula of 2-(2-((4-amino-6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-2-yl)amino)ethoxy)ethanol is C19H27N7O4.
What is the molecular weight of 2-(2-((4-amino-6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-2-yl)amino)ethoxy)ethanol?
The molecular weight of 2-(2-((4-amino-6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-2-yl)amino)ethoxy)ethanol is 417.21 g/mol.
Where can I buy 2-(2-((4-amino-6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-2-yl)amino)ethoxy)ethanol?
You can request a quote for 2-(2-((4-amino-6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-2-yl)amino)ethoxy)ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-((4-amino-6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-2-yl)amino)ethoxy)ethanol?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-((4-amino-6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-2-yl)amino)ethoxy)ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.