![2-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]pyrimidine 1-oxide structure](/static/products/5060/50602-52-3.webp)
2-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]pyrimidine 1-oxide
TL;DR: 2-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]pyrimidine 1-oxide (CAS 50602-52-3) 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]-1-oxidopyrimidin-1-ium
Also Known As: 1-(3',4'-Methylenedioxybenzyl)-4-(2-pyrimidinyl)piperazine, 1-N-oxide, 2-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl ]pyrimidine 1-oxide, 2-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]pyrimidine 1-oxide, 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-oxidopyrimidin-1-ium, 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidine 1-oxide
| Molecular Formula | C16H18N4O3 |
|---|---|
| Molecular Weight | 314.14 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.13788 |
| Heavy Atoms | 23 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 50602-52-3 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=CC=[N+]4[O-] |
| InChIKey | ZBKPNKQWHUSKIU-UHFFFAOYSA-N |
Product Overview
2-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]pyrimidine 1-oxide (CAS 50602-52-3), with molecular formula C16H18N4O3 and molecular weight 314.14 g/mol. IUPAC: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-oxidopyrimidin-1-ium.
Chemical Property Profile of 2-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]pyrimidine 1-oxide
Property Insights of 2-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]pyrimidine 1-oxide
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]pyrimidine 1-oxide. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]pyrimidine 1-oxide. Following Lipinski's Rule of Five, 2-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]pyrimidine 1-oxide has 0 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 2-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]pyrimidine 1-oxide?
The CAS number of 2-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]pyrimidine 1-oxide is 50602-52-3.
What is the molecular formula of 2-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]pyrimidine 1-oxide?
The molecular formula of 2-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]pyrimidine 1-oxide is C16H18N4O3.
What is the molecular weight of 2-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]pyrimidine 1-oxide?
The molecular weight of 2-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]pyrimidine 1-oxide is 314.14 g/mol.
Where can I buy 2-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]pyrimidine 1-oxide?
You can request a quote for 2-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]pyrimidine 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]pyrimidine 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]pyrimidine 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.