(E)-1-butyl-5-(1-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: (E)-1-butyl-5-(1-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 1164502-91-3) is a chemical compound with molecular formula C21H25N5O4 and molecular weight 411.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-5-[N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione
Also Known As: (E)-1-butyl-5-(1-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione, (5E)-1-butyl-5-[1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]ethylidene]-1,3-diazinane-2,4,6-trione, (5E)-3-butyl-5-{1-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]ethylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione, 1-butyl-5-[1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]ethylidene]-1,3-diazinane-2,4,6-trione, REGID_for_CID_5389691
| Molecular Formula | C21H25N5O4 |
|---|---|
| Molecular Weight | 411.19 g/mol |
| LogP | 1.98082 |
| Topological Polar Surface Area | 114.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.19064 |
| Heavy Atoms | 30 |
| Complexity | 1275.6963 |
Chemical Identifiers
| CAS Number | 1164502-91-3 |
|---|---|
| SMILES | CCCCN1C(=C(C(=O)NC1=O)C(=NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C)O |
Product Overview
(E)-1-butyl-5-(1-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 1164502-91-3), with molecular formula C21H25N5O4 and molecular weight 411.19 g/mol. IUPAC: 1-butyl-5-[N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione.
Chemical Property Profile of (E)-1-butyl-5-(1-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of (E)-1-butyl-5-(1-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 1.98082 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-butyl-5-(1-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)ethylidene)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)-1-butyl-5-(1-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, (E)-1-butyl-5-(1-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)ethylidene)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)-1-butyl-5-(1-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of (E)-1-butyl-5-(1-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is 1164502-91-3.
What is the molecular formula of (E)-1-butyl-5-(1-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of (E)-1-butyl-5-(1-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is C21H25N5O4.
What is the molecular weight of (E)-1-butyl-5-(1-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of (E)-1-butyl-5-(1-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is 411.19 g/mol.
Where can I buy (E)-1-butyl-5-(1-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for (E)-1-butyl-5-(1-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)ethylidene)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)-1-butyl-5-(1-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-butyl-5-(1-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.