5-(4-Chlorophenyl)pyrimidine-4,6-diol
TL;DR: 5-(4-Chlorophenyl)pyrimidine-4,6-diol (CAS 3979-80-4) is a chemical compound with molecular formula C10H7ClN2O2 and molecular weight 222.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
Also Known As: 5-(4-chlorophenyl)pyrimidine-4,6-diol, 5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one, 5-(4-chlorophenyl)-4,6-pyrimidinediol, 4(1H)-Pyrimidinone, 5-(4-chlorophenyl)-6-hydroxy-, 5-(4-chlorophenyl)-pyrimidine-4,6-diol
| Molecular Formula | C10H7ClN2O2 |
|---|---|
| Molecular Weight | 222.02 g/mol |
| LogP | 1.7959 |
| Topological Polar Surface Area | 65.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.0196 |
| Heavy Atoms | 15 |
| Complexity | 533.86383 |
Chemical Identifiers
| CAS Number | 3979-80-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=C(N=CNC2=O)O)Cl |
Product Overview
5-(4-Chlorophenyl)pyrimidine-4,6-diol (CAS 3979-80-4), with molecular formula C10H7ClN2O2 and molecular weight 222.02 g/mol. IUPAC: 5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one.
Chemical Property Profile of 5-(4-Chlorophenyl)pyrimidine-4,6-diol
Property Insights of 5-(4-Chlorophenyl)pyrimidine-4,6-diol
The XLogP value of 1.7959 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Chlorophenyl)pyrimidine-4,6-diol. The TPSA of 65.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-Chlorophenyl)pyrimidine-4,6-diol. Following Lipinski's Rule of Five, 5-(4-Chlorophenyl)pyrimidine-4,6-diol has 2 hydrogen bond donor(s) and 3 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-Chlorophenyl)pyrimidine-4,6-diol?
The CAS number of 5-(4-Chlorophenyl)pyrimidine-4,6-diol is 3979-80-4.
What is the molecular formula of 5-(4-Chlorophenyl)pyrimidine-4,6-diol?
The molecular formula of 5-(4-Chlorophenyl)pyrimidine-4,6-diol is C10H7ClN2O2.
What is the molecular weight of 5-(4-Chlorophenyl)pyrimidine-4,6-diol?
The molecular weight of 5-(4-Chlorophenyl)pyrimidine-4,6-diol is 222.02 g/mol.
Where can I buy 5-(4-Chlorophenyl)pyrimidine-4,6-diol?
You can request a quote for 5-(4-Chlorophenyl)pyrimidine-4,6-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Chlorophenyl)pyrimidine-4,6-diol?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Chlorophenyl)pyrimidine-4,6-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.