1-((2-Nitrophenyl)sulfonyl)-4-(1-propylpiperidin-4-yl)piperazine oxalate
TL;DR: 1-((2-Nitrophenyl)sulfonyl)-4-(1-propylpiperidin-4-yl)piperazine oxalate (CAS 1185463-00-6) is a chemical compound with molecular formula C20H30N4O8S and molecular weight 486.17844 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-nitrophenyl)sulfonyl-4-(1-propylpiperidin-4-yl)piperazine;oxalic acid
Also Known As: 1-((2-nitrophenyl)sulfonyl)-4-(1-propylpiperidin-4-yl)piperazine oxalate, 1-(2-nitrophenyl)sulfonyl-4-(1-propylpiperidin-4-yl)piperazine; oxalic acid, IUPAC: 1-(2-nitrophenyl)sulfonyl-4-(1-propyl-4-piperidyl)piperazine; Oxalic Acid
Technical Specifications
| Molecular Formula | C20H30N4O8S |
| Molecular Weight | 486.17844 g/mol |
| XLogP | 0.9311 |
| Topological Polar Surface Area (TPSA) | 173.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 486.17844 Da |
| Heavy Atoms | 33 |
| Complexity | 659.0 |
| SMILES | CCCN1CCC(CC1)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-].C(=O)(C(=O)O)O |
| InChIKey | LDKOUWUXTSSPHZ-UHFFFAOYSA-N |
Chemical Property Profile of 1-((2-Nitrophenyl)sulfonyl)-4-(1-propylpiperidin-4-yl)piperazine oxalate
Property Insights of 1-((2-Nitrophenyl)sulfonyl)-4-(1-propylpiperidin-4-yl)piperazine oxalate
The XLogP value of 0.9311 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-((2-Nitrophenyl)sulfonyl)-4-(1-propylpiperidin-4-yl)piperazine oxalate. The TPSA of 173.0 Ų indicates high polarity, suggesting 1-((2-Nitrophenyl)sulfonyl)-4-(1-propylpiperidin-4-yl)piperazine oxalate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-((2-Nitrophenyl)sulfonyl)-4-(1-propylpiperidin-4-yl)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-((2-Nitrophenyl)sulfonyl)-4-(1-propylpiperidin-4-yl)piperazine oxalate?
The CAS number of 1-((2-Nitrophenyl)sulfonyl)-4-(1-propylpiperidin-4-yl)piperazine oxalate is 1185463-00-6.
What is the molecular formula of 1-((2-Nitrophenyl)sulfonyl)-4-(1-propylpiperidin-4-yl)piperazine oxalate?
The molecular formula of 1-((2-Nitrophenyl)sulfonyl)-4-(1-propylpiperidin-4-yl)piperazine oxalate is C20H30N4O8S.
What is the molecular weight of 1-((2-Nitrophenyl)sulfonyl)-4-(1-propylpiperidin-4-yl)piperazine oxalate?
The molecular weight of 1-((2-Nitrophenyl)sulfonyl)-4-(1-propylpiperidin-4-yl)piperazine oxalate is 486.17844 g/mol.
Where can I buy 1-((2-Nitrophenyl)sulfonyl)-4-(1-propylpiperidin-4-yl)piperazine oxalate?
You can request a quote for 1-((2-Nitrophenyl)sulfonyl)-4-(1-propylpiperidin-4-yl)piperazine oxalate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-((2-Nitrophenyl)sulfonyl)-4-(1-propylpiperidin-4-yl)piperazine oxalate?
Yes, CoreyChem provides custom synthesis services for 1-((2-Nitrophenyl)sulfonyl)-4-(1-propylpiperidin-4-yl)piperazine oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.