4-((4-(2-Pyrimidinyl)-1-piperazinyl)methyl)-1,2-benzenediol
TL;DR: 4-((4-(2-Pyrimidinyl)-1-piperazinyl)methyl)-1,2-benzenediol (CAS 5219-00-1) is a chemical compound with molecular formula C15H18N4O2 and molecular weight 286.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzene-1,2-diol
Also Known As: Desmethylene Piribedil, Piribedil Impurity 1, Piribedil Impurity 10, 1-(2-Pyrimidyl)-4-(3,4-dihydroxybenzyl)piperazine, KST-1B4783
| Molecular Formula | C15H18N4O2 |
|---|---|
| Molecular Weight | 286.14 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.14297 |
| Heavy Atoms | 21 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 5219-00-1 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC(=C(C=C2)O)O)C3=NC=CC=N3 |
| InChIKey | KASPTNXQKINYTJ-UHFFFAOYSA-N |
Product Overview
4-((4-(2-Pyrimidinyl)-1-piperazinyl)methyl)-1,2-benzenediol (CAS 5219-00-1), with molecular formula C15H18N4O2 and molecular weight 286.14 g/mol. IUPAC: 4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzene-1,2-diol.
Chemical Property Profile of 4-((4-(2-Pyrimidinyl)-1-piperazinyl)methyl)-1,2-benzenediol
Property Insights of 4-((4-(2-Pyrimidinyl)-1-piperazinyl)methyl)-1,2-benzenediol
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((4-(2-Pyrimidinyl)-1-piperazinyl)methyl)-1,2-benzenediol. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((4-(2-Pyrimidinyl)-1-piperazinyl)methyl)-1,2-benzenediol. Following Lipinski's Rule of Five, 4-((4-(2-Pyrimidinyl)-1-piperazinyl)methyl)-1,2-benzenediol has 2 hydrogen bond donor(s) and 6 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 4-((4-(2-Pyrimidinyl)-1-piperazinyl)methyl)-1,2-benzenediol?
The CAS number of 4-((4-(2-Pyrimidinyl)-1-piperazinyl)methyl)-1,2-benzenediol is 5219-00-1.
What is the molecular formula of 4-((4-(2-Pyrimidinyl)-1-piperazinyl)methyl)-1,2-benzenediol?
The molecular formula of 4-((4-(2-Pyrimidinyl)-1-piperazinyl)methyl)-1,2-benzenediol is C15H18N4O2.
What is the molecular weight of 4-((4-(2-Pyrimidinyl)-1-piperazinyl)methyl)-1,2-benzenediol?
The molecular weight of 4-((4-(2-Pyrimidinyl)-1-piperazinyl)methyl)-1,2-benzenediol is 286.14 g/mol.
Where can I buy 4-((4-(2-Pyrimidinyl)-1-piperazinyl)methyl)-1,2-benzenediol?
You can request a quote for 4-((4-(2-Pyrimidinyl)-1-piperazinyl)methyl)-1,2-benzenediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((4-(2-Pyrimidinyl)-1-piperazinyl)methyl)-1,2-benzenediol?
Yes, KEHONG BIO provides custom synthesis services for 4-((4-(2-Pyrimidinyl)-1-piperazinyl)methyl)-1,2-benzenediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.