1-((4-Nitrophenyl)sulfonyl)-4-(pyridin-2-ylmethyl)piperazine oxalate
TL;DR: 1-((4-Nitrophenyl)sulfonyl)-4-(pyridin-2-ylmethyl)piperazine oxalate (CAS 1185711-33-4) is a chemical compound with molecular formula C18H20N4O8S and molecular weight 452.1002 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-nitrophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine;oxalic acid
Also Known As: 1-((4-nitrophenyl)sulfonyl)-4-(pyridin-2-ylmethyl)piperazine oxalate, 1-(4-nitrophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine; oxalic acid, IUPAC: 1-(4-nitrophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine; Oxalic Acid
Technical Specifications
| Molecular Formula | C18H20N4O8S |
| Molecular Weight | 452.1002 g/mol |
| XLogP | 0.6519 |
| Topological Polar Surface Area (TPSA) | 182.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 452.1002 Da |
| Heavy Atoms | 31 |
| Complexity | 615.0 |
| SMILES | C1CN(CCN1CC2=CC=CC=N2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-].C(=O)(C(=O)O)O |
| InChIKey | PJJWOWHAAAINEV-UHFFFAOYSA-N |
Chemical Property Profile of 1-((4-Nitrophenyl)sulfonyl)-4-(pyridin-2-ylmethyl)piperazine oxalate
Property Insights of 1-((4-Nitrophenyl)sulfonyl)-4-(pyridin-2-ylmethyl)piperazine oxalate
The XLogP value of 0.6519 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-((4-Nitrophenyl)sulfonyl)-4-(pyridin-2-ylmethyl)piperazine oxalate. The TPSA of 182.0 Ų indicates high polarity, suggesting 1-((4-Nitrophenyl)sulfonyl)-4-(pyridin-2-ylmethyl)piperazine oxalate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-((4-Nitrophenyl)sulfonyl)-4-(pyridin-2-ylmethyl)piperazine oxalate has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1-((4-Nitrophenyl)sulfonyl)-4-(pyridin-2-ylmethyl)piperazine oxalate?
The CAS number of 1-((4-Nitrophenyl)sulfonyl)-4-(pyridin-2-ylmethyl)piperazine oxalate is 1185711-33-4.
What is the molecular formula of 1-((4-Nitrophenyl)sulfonyl)-4-(pyridin-2-ylmethyl)piperazine oxalate?
The molecular formula of 1-((4-Nitrophenyl)sulfonyl)-4-(pyridin-2-ylmethyl)piperazine oxalate is C18H20N4O8S.
What is the molecular weight of 1-((4-Nitrophenyl)sulfonyl)-4-(pyridin-2-ylmethyl)piperazine oxalate?
The molecular weight of 1-((4-Nitrophenyl)sulfonyl)-4-(pyridin-2-ylmethyl)piperazine oxalate is 452.1002 g/mol.
Where can I buy 1-((4-Nitrophenyl)sulfonyl)-4-(pyridin-2-ylmethyl)piperazine oxalate?
You can request a quote for 1-((4-Nitrophenyl)sulfonyl)-4-(pyridin-2-ylmethyl)piperazine oxalate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-((4-Nitrophenyl)sulfonyl)-4-(pyridin-2-ylmethyl)piperazine oxalate?
Yes, CoreyChem provides custom synthesis services for 1-((4-Nitrophenyl)sulfonyl)-4-(pyridin-2-ylmethyl)piperazine oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.