5-((3-Chlorophenyl)amino)-6-hydroxypyrimidin-4(3H)-one
TL;DR: 5-((3-Chlorophenyl)amino)-6-hydroxypyrimidin-4(3H)-one (CAS 89588-28-3) is a chemical compound with molecular formula C10H8ClN3O2 and molecular weight 237.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-chloroanilino)-4-hydroxy-1H-pyrimidin-6-one
Also Known As: 5-(3-chloroanilino)-4-hydroxy-1H-pyrimidin-6-one, 5-((3-Chlorophenyl)amino)-6-hydroxypyrimidin-4(3H)-one, 5-[(3-chlorophenyl)amino]-6-hydroxypyrimidin-4(3h)-one, 5-(3-Chloroanilino)-6-hydroxypyrimidin-4(3H)-one
| Molecular Formula | C10H8ClN3O2 |
|---|---|
| Molecular Weight | 237.03 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 73.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.0305 |
| Heavy Atoms | 16 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 89588-28-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)NC2=C(N=CNC2=O)O |
| InChIKey | JQEYRPMOIBYIMV-UHFFFAOYSA-N |
Product Overview
5-((3-Chlorophenyl)amino)-6-hydroxypyrimidin-4(3H)-one (CAS 89588-28-3), with molecular formula C10H8ClN3O2 and molecular weight 237.03 g/mol. IUPAC: 5-(3-chloroanilino)-4-hydroxy-1H-pyrimidin-6-one.
Chemical Property Profile of 5-((3-Chlorophenyl)amino)-6-hydroxypyrimidin-4(3H)-one
Property Insights of 5-((3-Chlorophenyl)amino)-6-hydroxypyrimidin-4(3H)-one
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-((3-Chlorophenyl)amino)-6-hydroxypyrimidin-4(3H)-one. The TPSA of 73.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-((3-Chlorophenyl)amino)-6-hydroxypyrimidin-4(3H)-one. Following Lipinski's Rule of Five, 5-((3-Chlorophenyl)amino)-6-hydroxypyrimidin-4(3H)-one 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-((3-Chlorophenyl)amino)-6-hydroxypyrimidin-4(3H)-one?
The CAS number of 5-((3-Chlorophenyl)amino)-6-hydroxypyrimidin-4(3H)-one is 89588-28-3.
What is the molecular formula of 5-((3-Chlorophenyl)amino)-6-hydroxypyrimidin-4(3H)-one?
The molecular formula of 5-((3-Chlorophenyl)amino)-6-hydroxypyrimidin-4(3H)-one is C10H8ClN3O2.
What is the molecular weight of 5-((3-Chlorophenyl)amino)-6-hydroxypyrimidin-4(3H)-one?
The molecular weight of 5-((3-Chlorophenyl)amino)-6-hydroxypyrimidin-4(3H)-one is 237.03 g/mol.
Where can I buy 5-((3-Chlorophenyl)amino)-6-hydroxypyrimidin-4(3H)-one?
You can request a quote for 5-((3-Chlorophenyl)amino)-6-hydroxypyrimidin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-((3-Chlorophenyl)amino)-6-hydroxypyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-((3-Chlorophenyl)amino)-6-hydroxypyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.