5-((4-Chloroanilino)methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione
TL;DR: 5-((4-Chloroanilino)methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS 23872-55-1) is a chemical compound with molecular formula C11H8ClN3O3 and molecular weight 265.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-chlorophenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione
Also Known As: 5-((4-CHLOROANILINO)METHYLENE)-2,4,6(1H,3H,5H)-PYRIMIDINETRIONE, 5-[(4-chloroanilino)methylidene]-1,3-diazinane-2,4,6-trione, 5-{[(4-chlorophenyl)amino]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione, 5-[(4-chlorophenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione, 5-{[(4-chlorophenyl)amino]methylidene}-1,3-diazinane-2,4,6-trione
| Molecular Formula | C11H8ClN3O3 |
|---|---|
| Molecular Weight | 265.03 g/mol |
| LogP | 1.1728 |
| Topological Polar Surface Area | 98.31 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 265.02542 |
| Heavy Atoms | 18 |
| Complexity | 700.70874 |
Chemical Identifiers
| CAS Number | 23872-55-1 |
|---|---|
| SMILES | C1=CC(=CC=C1N=CC2=C(NC(=O)NC2=O)O)Cl |
Product Overview
5-((4-Chloroanilino)methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS 23872-55-1), with molecular formula C11H8ClN3O3 and molecular weight 265.03 g/mol. IUPAC: 5-[(4-chlorophenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 5-((4-Chloroanilino)methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione
Property Insights of 5-((4-Chloroanilino)methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione
The XLogP value of 1.1728 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-((4-Chloroanilino)methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione. The TPSA of 98.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-((4-Chloroanilino)methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione. Following Lipinski's Rule of Five, 5-((4-Chloroanilino)methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione has 3 hydrogen bond donor(s) and 4 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-((4-Chloroanilino)methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione?
The CAS number of 5-((4-Chloroanilino)methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione is 23872-55-1.
What is the molecular formula of 5-((4-Chloroanilino)methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione?
The molecular formula of 5-((4-Chloroanilino)methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione is C11H8ClN3O3.
What is the molecular weight of 5-((4-Chloroanilino)methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione?
The molecular weight of 5-((4-Chloroanilino)methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione is 265.03 g/mol.
Where can I buy 5-((4-Chloroanilino)methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione?
You can request a quote for 5-((4-Chloroanilino)methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-((4-Chloroanilino)methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione?
Yes, KEHONG BIO provides custom synthesis services for 5-((4-Chloroanilino)methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.