(E)-5-(1-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)ethylidene)-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: (E)-5-(1-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)ethylidene)-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione (CAS 579441-46-6) is a chemical compound with molecular formula C23H21N5O4 and molecular weight 431.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione
Also Known As: (E)-5-(1-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)ethylidene)-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione, (5E)-5-[1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]ethylidene]-1-phenyl-1,3-diazinane-2,4,6-trione, (5E)-5-{1-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]ethylidene}-6-hydroxy-3-phenylpyrimidine-2,4(3H,5H)-dione, 5-[1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]ethylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
| Molecular Formula | C23H21N5O4 |
|---|---|
| Molecular Weight | 431.16 g/mol |
| LogP | 2.16992 |
| Topological Polar Surface Area | 114.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 431.15936 |
| Heavy Atoms | 32 |
| Complexity | 1506.4651 |
Chemical Identifiers
| CAS Number | 579441-46-6 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C(C)C3=C(N(C(=O)NC3=O)C4=CC=CC=C4)O |
Product Overview
(E)-5-(1-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)ethylidene)-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione (CAS 579441-46-6), with molecular formula C23H21N5O4 and molecular weight 431.16 g/mol. IUPAC: 5-[N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione.
Chemical Property Profile of (E)-5-(1-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)ethylidene)-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of (E)-5-(1-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)ethylidene)-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 2.16992 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-5-(1-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)ethylidene)-1-phenylpyrimidine-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-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)ethylidene)-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, (E)-5-(1-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)ethylidene)-1-phenylpyrimidine-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-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)ethylidene)-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of (E)-5-(1-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)ethylidene)-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione is 579441-46-6.
What is the molecular formula of (E)-5-(1-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)ethylidene)-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of (E)-5-(1-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)ethylidene)-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione is C23H21N5O4.
What is the molecular weight of (E)-5-(1-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)ethylidene)-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of (E)-5-(1-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)ethylidene)-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione is 431.16 g/mol.
Where can I buy (E)-5-(1-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)ethylidene)-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for (E)-5-(1-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)ethylidene)-1-phenylpyrimidine-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-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)ethylidene)-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-(1-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)ethylidene)-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.