![2-[3-Oxo-1-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]acetate structure](/static/products/1024/1024591-58-9.webp)
2-[3-Oxo-1-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]acetate
TL;DR: 2-[3-Oxo-1-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]acetate (CAS 1024591-58-9) is a chemical compound with molecular formula C12H15N3O3 and molecular weight 249.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-oxo-1-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]acetate
Also Known As: 2-[3-oxo-1-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]acetate, 2-[3-oxo-1-(pyridin-3-ylmethyl)-2,4,5,6-tetrahydropyrazin-2-yl]acetate
| Molecular Formula | C12H15N3O3 |
|---|---|
| Molecular Weight | 249.11 g/mol |
| LogP | -2.8951 |
| Topological Polar Surface Area | 86.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 249.11134 |
| Heavy Atoms | 18 |
| Complexity | 435.45358 |
Chemical Identifiers
| CAS Number | 1024591-58-9 |
|---|---|
| SMILES | C1C[NH+](C(C(=O)N1)CC(=O)[O-])CC2=CN=CC=C2 |
Product Overview
2-[3-Oxo-1-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]acetate (CAS 1024591-58-9), with molecular formula C12H15N3O3 and molecular weight 249.11 g/mol. IUPAC: 2-[3-oxo-1-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]acetate.
Chemical Property Profile of 2-[3-Oxo-1-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]acetate
Property Insights of 2-[3-Oxo-1-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]acetate
The XLogP value of -2.8951 indicates that 2-[3-Oxo-1-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 86.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[3-Oxo-1-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]acetate. Following Lipinski's Rule of Five, 2-[3-Oxo-1-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]acetate has 2 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 2-[3-Oxo-1-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]acetate?
The CAS number of 2-[3-Oxo-1-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]acetate is 1024591-58-9.
What is the molecular formula of 2-[3-Oxo-1-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]acetate?
The molecular formula of 2-[3-Oxo-1-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]acetate is C12H15N3O3.
What is the molecular weight of 2-[3-Oxo-1-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]acetate?
The molecular weight of 2-[3-Oxo-1-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]acetate is 249.11 g/mol.
Where can I buy 2-[3-Oxo-1-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]acetate?
You can request a quote for 2-[3-Oxo-1-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[3-Oxo-1-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-Oxo-1-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.