(E)-5-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)methylene)-1-(4-fluorobenzyl)pyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: (E)-5-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)methylene)-1-(4-fluorobenzyl)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 1164560-99-9) is a chemical compound with molecular formula C23H20FN5O4 and molecular weight 449.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]-1-[(4-fluorophenyl)methyl]-6-hydroxypyrimidine-2,4-dione
Also Known As: (E)-5-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)methylene)-1-(4-fluorobenzyl)pyrimidine-2,4,6(1H,3H,5H)-trione, (5E)-5-[[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]methylidene]-1-[(4-fluorophenyl)methyl]-1,3-diazinane-2,4,6-trione, (5E)-5-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]methylidene}-3-(4-fluorobenzyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione, 5-[[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]methylidene]-1-[(4-fluorophenyl)methyl]-1,3-diazinane-2,4,6-trione, 5-[1-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-ylamino)-meth-(E)-ylidene]-1-(4-fluoro-ben zyl)-pyrimidine-2,4,6-trione
| Molecular Formula | C23H20FN5O4 |
|---|---|
| Molecular Weight | 449.15 g/mol |
| LogP | 1.97802 |
| Topological Polar Surface Area | 114.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 449.14993 |
| Heavy Atoms | 33 |
| Complexity | 1526.7982 |
Chemical Identifiers
| CAS Number | 1164560-99-9 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=C(N(C(=O)NC3=O)CC4=CC=C(C=C4)F)O |
Product Overview
(E)-5-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)methylene)-1-(4-fluorobenzyl)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 1164560-99-9), with molecular formula C23H20FN5O4 and molecular weight 449.15 g/mol. IUPAC: 5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]-1-[(4-fluorophenyl)methyl]-6-hydroxypyrimidine-2,4-dione.
Chemical Property Profile of (E)-5-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)methylene)-1-(4-fluorobenzyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of (E)-5-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)methylene)-1-(4-fluorobenzyl)pyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 1.97802 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-5-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)methylene)-1-(4-fluorobenzyl)pyrimidine-2,4,6(1H,3H,5H)-trione. The TPSA of 114.38 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-5-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)methylene)-1-(4-fluorobenzyl)pyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, (E)-5-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)methylene)-1-(4-fluorobenzyl)pyrimidine-2,4,6(1H,3H,5H)-trione has 2 hydrogen bond donor(s) and 5 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 (E)-5-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)methylene)-1-(4-fluorobenzyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of (E)-5-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)methylene)-1-(4-fluorobenzyl)pyrimidine-2,4,6(1H,3H,5H)-trione is 1164560-99-9.
What is the molecular formula of (E)-5-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)methylene)-1-(4-fluorobenzyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of (E)-5-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)methylene)-1-(4-fluorobenzyl)pyrimidine-2,4,6(1H,3H,5H)-trione is C23H20FN5O4.
What is the molecular weight of (E)-5-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)methylene)-1-(4-fluorobenzyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of (E)-5-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)methylene)-1-(4-fluorobenzyl)pyrimidine-2,4,6(1H,3H,5H)-trione is 449.15 g/mol.
Where can I buy (E)-5-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)methylene)-1-(4-fluorobenzyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for (E)-5-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)methylene)-1-(4-fluorobenzyl)pyrimidine-2,4,6(1H,3H,5H)-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-5-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)methylene)-1-(4-fluorobenzyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)methylene)-1-(4-fluorobenzyl)pyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.