2-(2-((4-amino-6-((3-fluorophenyl)amino)-5-nitropyrimidin-2-yl)amino)ethoxy)ethanol
TL;DR: 2-(2-((4-amino-6-((3-fluorophenyl)amino)-5-nitropyrimidin-2-yl)amino)ethoxy)ethanol (CAS 586998-86-9) is a chemical compound with molecular formula C14H17FN6O4 and molecular weight 352.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[[4-amino-6-(3-fluoroanilino)-5-nitropyrimidin-2-yl]amino]ethoxy]ethanol
Also Known As: 2-(2-((4-amino-6-((3-fluorophenyl)amino)-5-nitropyrimidin-2-yl)amino)ethoxy)ethanol, 2-[2-[[4-amino-6-(3-fluoroanilino)-5-nitropyrimidin-2-yl]amino]ethoxy]ethanol, 2-[2-[[4-Amino-6-[(3-fluorophenyl)amino]-5-nitro-2-pyrimidinyl]amino]ethoxy]ethanol, 2-(2-{[4-Amino-6-(3-fluoroanilino)-5-nitropyrimidin-2-yl]amino}ethoxy)ethan-1-ol, 2-[2-({4-amino-6-[(3-fluorophenyl)amino]-5-nitropyrimidin-2-yl}amino)ethoxy]et han-1-ol
| Molecular Formula | C14H17FN6O4 |
|---|---|
| Molecular Weight | 352.13 g/mol |
| LogP | 1.2705 |
| Topological Polar Surface Area | 148.46 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 352.12952 |
| Heavy Atoms | 25 |
| Complexity | 745.2571 |
Chemical Identifiers
| CAS Number | 586998-86-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCOCCO |
Product Overview
2-(2-((4-amino-6-((3-fluorophenyl)amino)-5-nitropyrimidin-2-yl)amino)ethoxy)ethanol (CAS 586998-86-9), with molecular formula C14H17FN6O4 and molecular weight 352.13 g/mol. IUPAC: 2-[2-[[4-amino-6-(3-fluoroanilino)-5-nitropyrimidin-2-yl]amino]ethoxy]ethanol.
Chemical Property Profile of 2-(2-((4-amino-6-((3-fluorophenyl)amino)-5-nitropyrimidin-2-yl)amino)ethoxy)ethanol
Property Insights of 2-(2-((4-amino-6-((3-fluorophenyl)amino)-5-nitropyrimidin-2-yl)amino)ethoxy)ethanol
The XLogP value of 1.2705 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-((4-amino-6-((3-fluorophenyl)amino)-5-nitropyrimidin-2-yl)amino)ethoxy)ethanol. The TPSA of 148.46 Ų indicates high polarity, suggesting 2-(2-((4-amino-6-((3-fluorophenyl)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-((3-fluorophenyl)amino)-5-nitropyrimidin-2-yl)amino)ethoxy)ethanol has 4 hydrogen bond donor(s) and 9 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-((3-fluorophenyl)amino)-5-nitropyrimidin-2-yl)amino)ethoxy)ethanol?
The CAS number of 2-(2-((4-amino-6-((3-fluorophenyl)amino)-5-nitropyrimidin-2-yl)amino)ethoxy)ethanol is 586998-86-9.
What is the molecular formula of 2-(2-((4-amino-6-((3-fluorophenyl)amino)-5-nitropyrimidin-2-yl)amino)ethoxy)ethanol?
The molecular formula of 2-(2-((4-amino-6-((3-fluorophenyl)amino)-5-nitropyrimidin-2-yl)amino)ethoxy)ethanol is C14H17FN6O4.
What is the molecular weight of 2-(2-((4-amino-6-((3-fluorophenyl)amino)-5-nitropyrimidin-2-yl)amino)ethoxy)ethanol?
The molecular weight of 2-(2-((4-amino-6-((3-fluorophenyl)amino)-5-nitropyrimidin-2-yl)amino)ethoxy)ethanol is 352.13 g/mol.
Where can I buy 2-(2-((4-amino-6-((3-fluorophenyl)amino)-5-nitropyrimidin-2-yl)amino)ethoxy)ethanol?
You can request a quote for 2-(2-((4-amino-6-((3-fluorophenyl)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-((3-fluorophenyl)amino)-5-nitropyrimidin-2-yl)amino)ethoxy)ethanol?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-((4-amino-6-((3-fluorophenyl)amino)-5-nitropyrimidin-2-yl)amino)ethoxy)ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.