3-(2-fluorophenyl)-5-((1-(2-fluorophenyl)-6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(pyridin-4-yl)methyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione
TL;DR: 3-(2-fluorophenyl)-5-((1-(2-fluorophenyl)-6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(pyridin-4-yl)methyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione (CAS 396719-42-9) is a chemical compound with molecular formula C26H17F2N5O6 and molecular weight 533.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-fluorophenyl)-5-[[1-(2-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]-pyridin-4-ylmethyl]-6-hydroxypyrimidine-2,4-dione
Also Known As: 3-(2-fluorophenyl)-5-((1-(2-fluorophenyl)-6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(pyridin-4-yl)methyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione, 1-(2-fluorophenyl)-5-[[1-(2-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]-pyridin-4-ylmethyl]-6-hydroxypyrimidine-2,4-dione, 1-(2-fluorophenyl)-5-{[1-(2-fluorophenyl)-2,4-dihydroxy-6-oxo-1,6-dihydropyrimidin-5-yl](pyridin-4-yl)methyl}-4,6-dihydroxypyrimidin-2(1H)-one
| Molecular Formula | C26H17F2N5O6 |
|---|---|
| Molecular Weight | 533.11 g/mol |
| LogP | 1.6296 |
| Topological Polar Surface Area | 163.07 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 533.1147 |
| Heavy Atoms | 39 |
| Complexity | 1840.5787 |
Chemical Identifiers
| CAS Number | 396719-42-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)N2C(=C(C(=O)NC2=O)C(C3=CC=NC=C3)C4=C(N(C(=O)NC4=O)C5=CC=CC=C5F)O)O)F |
Product Overview
3-(2-fluorophenyl)-5-((1-(2-fluorophenyl)-6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(pyridin-4-yl)methyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione (CAS 396719-42-9), with molecular formula C26H17F2N5O6 and molecular weight 533.11 g/mol. IUPAC: 1-(2-fluorophenyl)-5-[[1-(2-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]-pyridin-4-ylmethyl]-6-hydroxypyrimidine-2,4-dione.
Chemical Property Profile of 3-(2-fluorophenyl)-5-((1-(2-fluorophenyl)-6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(pyridin-4-yl)methyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione
Property Insights of 3-(2-fluorophenyl)-5-((1-(2-fluorophenyl)-6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(pyridin-4-yl)methyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione
The XLogP value of 1.6296 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-fluorophenyl)-5-((1-(2-fluorophenyl)-6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(pyridin-4-yl)methyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione. The TPSA of 163.07 Ų indicates high polarity, suggesting 3-(2-fluorophenyl)-5-((1-(2-fluorophenyl)-6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(pyridin-4-yl)methyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-(2-fluorophenyl)-5-((1-(2-fluorophenyl)-6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(pyridin-4-yl)methyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(2-fluorophenyl)-5-((1-(2-fluorophenyl)-6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(pyridin-4-yl)methyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione?
The CAS number of 3-(2-fluorophenyl)-5-((1-(2-fluorophenyl)-6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(pyridin-4-yl)methyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione is 396719-42-9.
What is the molecular formula of 3-(2-fluorophenyl)-5-((1-(2-fluorophenyl)-6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(pyridin-4-yl)methyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione?
The molecular formula of 3-(2-fluorophenyl)-5-((1-(2-fluorophenyl)-6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(pyridin-4-yl)methyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione is C26H17F2N5O6.
What is the molecular weight of 3-(2-fluorophenyl)-5-((1-(2-fluorophenyl)-6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(pyridin-4-yl)methyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione?
The molecular weight of 3-(2-fluorophenyl)-5-((1-(2-fluorophenyl)-6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(pyridin-4-yl)methyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione is 533.11 g/mol.
Where can I buy 3-(2-fluorophenyl)-5-((1-(2-fluorophenyl)-6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(pyridin-4-yl)methyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione?
You can request a quote for 3-(2-fluorophenyl)-5-((1-(2-fluorophenyl)-6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(pyridin-4-yl)methyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-fluorophenyl)-5-((1-(2-fluorophenyl)-6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(pyridin-4-yl)methyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-fluorophenyl)-5-((1-(2-fluorophenyl)-6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(pyridin-4-yl)methyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.