4-N-(4-fluorophenyl)-5-nitrosopyrimidine-2,4,6-triamine
TL;DR: 4-N-(4-fluorophenyl)-5-nitrosopyrimidine-2,4,6-triamine (CAS 787-05-3) is a chemical compound with molecular formula C10H9FN6O and molecular weight 248.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N-(4-fluorophenyl)-5-nitrosopyrimidine-2,4,6-triamine
Also Known As: bis(2-ethylhexyl) phosphite,cadmium(2+), 4-N-(4-fluorophenyl)-5-nitrosopyrimidine-2,4,6-triamine, N4-(4-fluorophenyl)-5-nitroso-pyrimidine-2,4,6-triamine, N~4~-(4-Fluorophenyl)-2-imino-5-nitroso-1,2-dihydropyrimidine-4,6-diamine
| Molecular Formula | C10H9FN6O |
|---|---|
| Molecular Weight | 248.08 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.08218 |
| Heavy Atoms | 18 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 787-05-3 |
|---|---|
| SMILES | C1=CC(=CC=C1NC2=NC(=NC(=C2N=O)N)N)F |
| InChIKey | KSBIPCJIEYWNLV-UHFFFAOYSA-N |
Product Overview
4-N-(4-fluorophenyl)-5-nitrosopyrimidine-2,4,6-triamine (CAS 787-05-3), with molecular formula C10H9FN6O and molecular weight 248.08 g/mol. IUPAC: 4-N-(4-fluorophenyl)-5-nitrosopyrimidine-2,4,6-triamine.
Chemical Property Profile of 4-N-(4-fluorophenyl)-5-nitrosopyrimidine-2,4,6-triamine
Property Insights of 4-N-(4-fluorophenyl)-5-nitrosopyrimidine-2,4,6-triamine
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-N-(4-fluorophenyl)-5-nitrosopyrimidine-2,4,6-triamine. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-N-(4-fluorophenyl)-5-nitrosopyrimidine-2,4,6-triamine. Following Lipinski's Rule of Five, 4-N-(4-fluorophenyl)-5-nitrosopyrimidine-2,4,6-triamine has 3 hydrogen bond donor(s) and 8 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 4-N-(4-fluorophenyl)-5-nitrosopyrimidine-2,4,6-triamine?
The CAS number of 4-N-(4-fluorophenyl)-5-nitrosopyrimidine-2,4,6-triamine is 787-05-3.
What is the molecular formula of 4-N-(4-fluorophenyl)-5-nitrosopyrimidine-2,4,6-triamine?
The molecular formula of 4-N-(4-fluorophenyl)-5-nitrosopyrimidine-2,4,6-triamine is C10H9FN6O.
What is the molecular weight of 4-N-(4-fluorophenyl)-5-nitrosopyrimidine-2,4,6-triamine?
The molecular weight of 4-N-(4-fluorophenyl)-5-nitrosopyrimidine-2,4,6-triamine is 248.08 g/mol.
Where can I buy 4-N-(4-fluorophenyl)-5-nitrosopyrimidine-2,4,6-triamine?
You can request a quote for 4-N-(4-fluorophenyl)-5-nitrosopyrimidine-2,4,6-triamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-N-(4-fluorophenyl)-5-nitrosopyrimidine-2,4,6-triamine?
Yes, KEHONG BIO provides custom synthesis services for 4-N-(4-fluorophenyl)-5-nitrosopyrimidine-2,4,6-triamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.