2-(4-Methyl-2-phenylpiperazin-1-yl)nicotinonitrile oxalate
TL;DR: 2-(4-Methyl-2-phenylpiperazin-1-yl)nicotinonitrile oxalate (CAS 331815-15-7) is a chemical compound with molecular formula C19H20N4O4 and molecular weight 368.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carbonitrile;oxalic acid
Also Known As: 1-(3-Cyano-2-pyridyl)-4-methyl-2-phenylpiperazine Oxalate, 2-(4-Methyl-2-phenylpiperazin-1-yl)nicotinonitrile oxalate, IUPAC: 2-(4-methyl-2-phenyl-piperazin-1-yl)pyridine-3-carbonitrile; Oxalic Acid
| Molecular Formula | C19H20N4O4 |
|---|---|
| Molecular Weight | 368.15 g/mol |
| LogP | 1.60198 |
| Topological Polar Surface Area | 117.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 368.14847 |
| Heavy Atoms | 27 |
| Complexity | 823.10333 |
Chemical Identifiers
| CAS Number | 331815-15-7 |
|---|---|
| SMILES | CN1CCN(C(C1)C2=CC=CC=C2)C3=C(C=CC=N3)C#N.C(=O)(C(=O)O)O |
Product Overview
2-(4-Methyl-2-phenylpiperazin-1-yl)nicotinonitrile oxalate (CAS 331815-15-7), with molecular formula C19H20N4O4 and molecular weight 368.15 g/mol. IUPAC: 2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carbonitrile;oxalic acid.
Chemical Property Profile of 2-(4-Methyl-2-phenylpiperazin-1-yl)nicotinonitrile oxalate
Property Insights of 2-(4-Methyl-2-phenylpiperazin-1-yl)nicotinonitrile oxalate
The XLogP value of 1.60198 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Methyl-2-phenylpiperazin-1-yl)nicotinonitrile oxalate. The TPSA of 117.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Methyl-2-phenylpiperazin-1-yl)nicotinonitrile oxalate. Following Lipinski's Rule of Five, 2-(4-Methyl-2-phenylpiperazin-1-yl)nicotinonitrile oxalate 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 2-(4-Methyl-2-phenylpiperazin-1-yl)nicotinonitrile oxalate?
The CAS number of 2-(4-Methyl-2-phenylpiperazin-1-yl)nicotinonitrile oxalate is 331815-15-7.
What is the molecular formula of 2-(4-Methyl-2-phenylpiperazin-1-yl)nicotinonitrile oxalate?
The molecular formula of 2-(4-Methyl-2-phenylpiperazin-1-yl)nicotinonitrile oxalate is C19H20N4O4.
What is the molecular weight of 2-(4-Methyl-2-phenylpiperazin-1-yl)nicotinonitrile oxalate?
The molecular weight of 2-(4-Methyl-2-phenylpiperazin-1-yl)nicotinonitrile oxalate is 368.15 g/mol.
Where can I buy 2-(4-Methyl-2-phenylpiperazin-1-yl)nicotinonitrile oxalate?
You can request a quote for 2-(4-Methyl-2-phenylpiperazin-1-yl)nicotinonitrile oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Methyl-2-phenylpiperazin-1-yl)nicotinonitrile oxalate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methyl-2-phenylpiperazin-1-yl)nicotinonitrile oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.