2-(2-((4-amino-6-((4-ethoxyphenyl)amino)-5-nitropyrimidin-2-yl)amino)ethoxy)ethanol
TL;DR: 2-(2-((4-amino-6-((4-ethoxyphenyl)amino)-5-nitropyrimidin-2-yl)amino)ethoxy)ethanol (CAS 587000-94-0) is a chemical compound with molecular formula C16H22N6O5 and molecular weight 378.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[[4-amino-6-(4-ethoxyanilino)-5-nitropyrimidin-2-yl]amino]ethoxy]ethanol
Also Known As: 2-(2-((4-amino-6-((4-ethoxyphenyl)amino)-5-nitropyrimidin-2-yl)amino)ethoxy)ethanol, 2-[2-({4-amino-6-[(4-ethoxyphenyl)amino]-5-nitropyrimidin-2-yl}amino)ethoxy]et han-1-ol, 2-[2-({4-amino-6-[(4-ethoxyphenyl)amino]-5-nitropyrimidin-2-yl}amino)ethoxy]ethanol, 2-[2-[[4-amino-6-(4-ethoxyanilino)-5-nitropyrimidin-2-yl]amino]ethoxy]ethanol, 2-[2-[[4-amino-6-[(4-ethoxyphenyl)amino]-5-nitro-pyrimidin-2-yl]amino]ethoxy]ethanol
| Molecular Formula | C16H22N6O5 |
|---|---|
| Molecular Weight | 378.17 g/mol |
| LogP | 1.5301 |
| Topological Polar Surface Area | 157.69 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 378.16516 |
| Heavy Atoms | 27 |
| Complexity | 755.71124 |
Chemical Identifiers
| CAS Number | 587000-94-0 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCOCCO |
Product Overview
2-(2-((4-amino-6-((4-ethoxyphenyl)amino)-5-nitropyrimidin-2-yl)amino)ethoxy)ethanol (CAS 587000-94-0), with molecular formula C16H22N6O5 and molecular weight 378.17 g/mol. IUPAC: 2-[2-[[4-amino-6-(4-ethoxyanilino)-5-nitropyrimidin-2-yl]amino]ethoxy]ethanol.
Chemical Property Profile of 2-(2-((4-amino-6-((4-ethoxyphenyl)amino)-5-nitropyrimidin-2-yl)amino)ethoxy)ethanol
Property Insights of 2-(2-((4-amino-6-((4-ethoxyphenyl)amino)-5-nitropyrimidin-2-yl)amino)ethoxy)ethanol
The XLogP value of 1.5301 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-((4-amino-6-((4-ethoxyphenyl)amino)-5-nitropyrimidin-2-yl)amino)ethoxy)ethanol. The TPSA of 157.69 Ų indicates high polarity, suggesting 2-(2-((4-amino-6-((4-ethoxyphenyl)amino)-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-ethoxyphenyl)amino)-5-nitropyrimidin-2-yl)amino)ethoxy)ethanol has 4 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-ethoxyphenyl)amino)-5-nitropyrimidin-2-yl)amino)ethoxy)ethanol?
The CAS number of 2-(2-((4-amino-6-((4-ethoxyphenyl)amino)-5-nitropyrimidin-2-yl)amino)ethoxy)ethanol is 587000-94-0.
What is the molecular formula of 2-(2-((4-amino-6-((4-ethoxyphenyl)amino)-5-nitropyrimidin-2-yl)amino)ethoxy)ethanol?
The molecular formula of 2-(2-((4-amino-6-((4-ethoxyphenyl)amino)-5-nitropyrimidin-2-yl)amino)ethoxy)ethanol is C16H22N6O5.
What is the molecular weight of 2-(2-((4-amino-6-((4-ethoxyphenyl)amino)-5-nitropyrimidin-2-yl)amino)ethoxy)ethanol?
The molecular weight of 2-(2-((4-amino-6-((4-ethoxyphenyl)amino)-5-nitropyrimidin-2-yl)amino)ethoxy)ethanol is 378.17 g/mol.
Where can I buy 2-(2-((4-amino-6-((4-ethoxyphenyl)amino)-5-nitropyrimidin-2-yl)amino)ethoxy)ethanol?
You can request a quote for 2-(2-((4-amino-6-((4-ethoxyphenyl)amino)-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-ethoxyphenyl)amino)-5-nitropyrimidin-2-yl)amino)ethoxy)ethanol?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-((4-amino-6-((4-ethoxyphenyl)amino)-5-nitropyrimidin-2-yl)amino)ethoxy)ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.