AB00680996-01
TL;DR: AB00680996-01 (CAS 835908-22-0) 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-(4-fluoroanilino)-5-nitropyrimidin-2-yl]amino]ethoxy]ethanol
Also Known As: AB00680996-01, 2-(2-((4-amino-6-((4-fluorophenyl)amino)-5-nitropyrimidin-2-yl)amino)ethoxy)ethanol, F2678-0612, 2-[2-({4-amino-6-[(4-fluorophenyl)amino]-5-nitropyrimidin-2-yl}amino)ethoxy]ethan-1-ol, 2-[2-[[4-amino-6-(4-fluoroanilino)-5-nitropyrimidin-2-yl]amino]ethoxy]ethanol
| 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 | 728.0071 |
Chemical Identifiers
| CAS Number | 835908-22-0 |
|---|---|
| SMILES | C1=CC(=CC=C1NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCOCCO)F |
Product Overview
AB00680996-01 (CAS 835908-22-0), with molecular formula C14H17FN6O4 and molecular weight 352.13 g/mol. IUPAC: 2-[2-[[4-amino-6-(4-fluoroanilino)-5-nitropyrimidin-2-yl]amino]ethoxy]ethanol.
Chemical Property Profile of AB00680996-01
Property Insights of AB00680996-01
The XLogP value of 1.2705 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00680996-01. The TPSA of 148.46 Ų indicates high polarity, suggesting AB00680996-01 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AB00680996-01 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 AB00680996-01?
The CAS number of AB00680996-01 is 835908-22-0.
What is the molecular formula of AB00680996-01?
The molecular formula of AB00680996-01 is C14H17FN6O4.
What is the molecular weight of AB00680996-01?
The molecular weight of AB00680996-01 is 352.13 g/mol.
Where can I buy AB00680996-01?
You can request a quote for AB00680996-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00680996-01?
Yes, KEHONG BIO provides custom synthesis services for AB00680996-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.