4-Pyrimidinol, 2-(4-piperonyl-1-piperazinyl)-
TL;DR: 4-Pyrimidinol, 2-(4-piperonyl-1-piperazinyl)- (CAS 3601-73-8) is a chemical compound with molecular formula C16H18N4O3 and molecular weight 314.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1H-pyrimidin-6-one
Also Known As: 2- -4-pyrimidinol, 2-(4-Piperonyl-1-piperazinyl)4-pyrimidinol, 4-Pyrimidinol, 2-(4-piperonyl-1-piperazinyl)-, 3,6-dimethyl-hept-6-en-4-yn-3-ol, 2-(4-Piperonyl-1-piperazinyl)-4-pyrimidinol
| Molecular Formula | C16H18N4O3 |
|---|---|
| Molecular Weight | 314.14 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.13788 |
| Heavy Atoms | 23 |
| Complexity | 513.0 |
Chemical Identifiers
| CAS Number | 3601-73-8 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=CC(=O)N4 |
| InChIKey | AULQVXZKKOEICL-UHFFFAOYSA-N |
Product Overview
4-Pyrimidinol, 2-(4-piperonyl-1-piperazinyl)- (CAS 3601-73-8), with molecular formula C16H18N4O3 and molecular weight 314.14 g/mol. IUPAC: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1H-pyrimidin-6-one.
Chemical Property Profile of 4-Pyrimidinol, 2-(4-piperonyl-1-piperazinyl)-
Property Insights of 4-Pyrimidinol, 2-(4-piperonyl-1-piperazinyl)-
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Pyrimidinol, 2-(4-piperonyl-1-piperazinyl)-. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Pyrimidinol, 2-(4-piperonyl-1-piperazinyl)-. Following Lipinski's Rule of Five, 4-Pyrimidinol, 2-(4-piperonyl-1-piperazinyl)- 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 4-Pyrimidinol, 2-(4-piperonyl-1-piperazinyl)-?
The CAS number of 4-Pyrimidinol, 2-(4-piperonyl-1-piperazinyl)- is 3601-73-8.
What is the molecular formula of 4-Pyrimidinol, 2-(4-piperonyl-1-piperazinyl)-?
The molecular formula of 4-Pyrimidinol, 2-(4-piperonyl-1-piperazinyl)- is C16H18N4O3.
What is the molecular weight of 4-Pyrimidinol, 2-(4-piperonyl-1-piperazinyl)-?
The molecular weight of 4-Pyrimidinol, 2-(4-piperonyl-1-piperazinyl)- is 314.14 g/mol.
Where can I buy 4-Pyrimidinol, 2-(4-piperonyl-1-piperazinyl)-?
You can request a quote for 4-Pyrimidinol, 2-(4-piperonyl-1-piperazinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Pyrimidinol, 2-(4-piperonyl-1-piperazinyl)-?
Yes, KEHONG BIO provides custom synthesis services for 4-Pyrimidinol, 2-(4-piperonyl-1-piperazinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.