5-((2-chlorophenyl)((4-(pyridin-4-ylmethyl)phenyl)amino)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: 5-((2-chlorophenyl)((4-(pyridin-4-ylmethyl)phenyl)amino)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione (CAS 314032-46-7) is a chemical compound with molecular formula C25H21ClN4O3 and molecular weight 460.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[C-(2-chlorophenyl)-N-[4-(pyridin-4-ylmethyl)phenyl]carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
Also Known As: 5-((2-chlorophenyl)((4-(pyridin-4-ylmethyl)phenyl)amino)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione, 5-((2-chlorophenyl){[4-(4-pyridinylmethyl)phenyl]amino}methylene)-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione, 5-((2-chlorophenyl){[4-(4-pyridylmethyl)phenyl]amino}methylene)-1,3-dimethyl-1 ,3-dihydropyrimidine-2,4,6-trione, 5-[(2-chlorophenyl)-[4-(pyridin-4-ylmethyl)anilino]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione, 5-[(2-chlorophenyl){[4-(pyridin-4-ylmethyl)phenyl]amino}methylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
| Molecular Formula | C25H21ClN4O3 |
|---|---|
| Molecular Weight | 460.13 g/mol |
| LogP | 3.5979 |
| Topological Polar Surface Area | 89.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 460.13022 |
| Heavy Atoms | 33 |
| Complexity | 1456.22 |
Chemical Identifiers
| CAS Number | 314032-46-7 |
|---|---|
| SMILES | CN1C(=C(C(=O)N(C1=O)C)C(=NC2=CC=C(C=C2)CC3=CC=NC=C3)C4=CC=CC=C4Cl)O |
Product Overview
5-((2-chlorophenyl)((4-(pyridin-4-ylmethyl)phenyl)amino)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione (CAS 314032-46-7), with molecular formula C25H21ClN4O3 and molecular weight 460.13 g/mol. IUPAC: 5-[C-(2-chlorophenyl)-N-[4-(pyridin-4-ylmethyl)phenyl]carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.
Chemical Property Profile of 5-((2-chlorophenyl)((4-(pyridin-4-ylmethyl)phenyl)amino)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of 5-((2-chlorophenyl)((4-(pyridin-4-ylmethyl)phenyl)amino)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 3.5979 indicates that 5-((2-chlorophenyl)((4-(pyridin-4-ylmethyl)phenyl)amino)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-((2-chlorophenyl)((4-(pyridin-4-ylmethyl)phenyl)amino)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, 5-((2-chlorophenyl)((4-(pyridin-4-ylmethyl)phenyl)amino)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione has 1 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 5-((2-chlorophenyl)((4-(pyridin-4-ylmethyl)phenyl)amino)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of 5-((2-chlorophenyl)((4-(pyridin-4-ylmethyl)phenyl)amino)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione is 314032-46-7.
What is the molecular formula of 5-((2-chlorophenyl)((4-(pyridin-4-ylmethyl)phenyl)amino)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of 5-((2-chlorophenyl)((4-(pyridin-4-ylmethyl)phenyl)amino)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione is C25H21ClN4O3.
What is the molecular weight of 5-((2-chlorophenyl)((4-(pyridin-4-ylmethyl)phenyl)amino)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of 5-((2-chlorophenyl)((4-(pyridin-4-ylmethyl)phenyl)amino)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione is 460.13 g/mol.
Where can I buy 5-((2-chlorophenyl)((4-(pyridin-4-ylmethyl)phenyl)amino)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for 5-((2-chlorophenyl)((4-(pyridin-4-ylmethyl)phenyl)amino)methylene)-1,3-dimethylpyrimidine-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 5-((2-chlorophenyl)((4-(pyridin-4-ylmethyl)phenyl)amino)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for 5-((2-chlorophenyl)((4-(pyridin-4-ylmethyl)phenyl)amino)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.