(3-Oxo-1-pyridin-2-ylmethyl-piperazin-2-yl)-acetic acid
TL;DR: (3-Oxo-1-pyridin-2-ylmethyl-piperazin-2-yl)-acetic acid (CAS 1041005-47-3) 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-2-ylmethyl)piperazin-2-yl]acetic acid
Also Known As: (3-Oxo-1-pyridin-2-ylmethyl-piperazin-2-yl)-acetic acid, 2-(3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl)acetic acid, 2-[3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]acetic Acid, BB 0256744, [3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]acetic acid
| Molecular Formula | C12H15N3O3 |
|---|---|
| Molecular Weight | 249.11 g/mol |
| LogP | -0.1433 |
| Topological Polar Surface Area | 82.53 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 | 1041005-47-3 |
|---|---|
| SMILES | C1CN(C(C(=O)N1)CC(=O)O)CC2=CC=CC=N2 |
Product Overview
(3-Oxo-1-pyridin-2-ylmethyl-piperazin-2-yl)-acetic acid (CAS 1041005-47-3), with molecular formula C12H15N3O3 and molecular weight 249.11 g/mol. IUPAC: 2-[3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]acetic acid.
Chemical Property Profile of (3-Oxo-1-pyridin-2-ylmethyl-piperazin-2-yl)-acetic acid
Property Insights of (3-Oxo-1-pyridin-2-ylmethyl-piperazin-2-yl)-acetic acid
The XLogP value of -0.1433 indicates that (3-Oxo-1-pyridin-2-ylmethyl-piperazin-2-yl)-acetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 82.53 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Oxo-1-pyridin-2-ylmethyl-piperazin-2-yl)-acetic acid. Following Lipinski's Rule of Five, (3-Oxo-1-pyridin-2-ylmethyl-piperazin-2-yl)-acetic acid 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 (3-Oxo-1-pyridin-2-ylmethyl-piperazin-2-yl)-acetic acid?
The CAS number of (3-Oxo-1-pyridin-2-ylmethyl-piperazin-2-yl)-acetic acid is 1041005-47-3.
What is the molecular formula of (3-Oxo-1-pyridin-2-ylmethyl-piperazin-2-yl)-acetic acid?
The molecular formula of (3-Oxo-1-pyridin-2-ylmethyl-piperazin-2-yl)-acetic acid is C12H15N3O3.
What is the molecular weight of (3-Oxo-1-pyridin-2-ylmethyl-piperazin-2-yl)-acetic acid?
The molecular weight of (3-Oxo-1-pyridin-2-ylmethyl-piperazin-2-yl)-acetic acid is 249.11 g/mol.
Where can I buy (3-Oxo-1-pyridin-2-ylmethyl-piperazin-2-yl)-acetic acid?
You can request a quote for (3-Oxo-1-pyridin-2-ylmethyl-piperazin-2-yl)-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Oxo-1-pyridin-2-ylmethyl-piperazin-2-yl)-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (3-Oxo-1-pyridin-2-ylmethyl-piperazin-2-yl)-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.