1-((4-Nitrophenyl)sulfonyl)-4-(pyridin-4-ylmethyl)piperazine oxalate
TL;DR: 1-((4-Nitrophenyl)sulfonyl)-4-(pyridin-4-ylmethyl)piperazine oxalate (CAS 1185358-31-9) is a chemical compound with molecular formula C18H20N4O8S and molecular weight 452.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-nitrophenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine;oxalic acid
Also Known As: 1-((4-nitrophenyl)sulfonyl)-4-(pyridin-4-ylmethyl)piperazine oxalate, 1-(4-nitrophenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine; oxalic acid, IUPAC: 1-(4-nitrophenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine; Oxalic Acid
| Molecular Formula | C18H20N4O8S |
|---|---|
| Molecular Weight | 452.10 g/mol |
| LogP | 0.6519 |
| Topological Polar Surface Area | 171.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 452.1002 |
| Heavy Atoms | 31 |
| Complexity | 1008.2851 |
Chemical Identifiers
| CAS Number | 1185358-31-9 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=NC=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-].C(=O)(C(=O)O)O |
Product Overview
1-((4-Nitrophenyl)sulfonyl)-4-(pyridin-4-ylmethyl)piperazine oxalate (CAS 1185358-31-9), with molecular formula C18H20N4O8S and molecular weight 452.10 g/mol. IUPAC: 1-(4-nitrophenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine;oxalic acid.
Chemical Property Profile of 1-((4-Nitrophenyl)sulfonyl)-4-(pyridin-4-ylmethyl)piperazine oxalate
Property Insights of 1-((4-Nitrophenyl)sulfonyl)-4-(pyridin-4-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-4-ylmethyl)piperazine oxalate. The TPSA of 171.25 Ų indicates high polarity, suggesting 1-((4-Nitrophenyl)sulfonyl)-4-(pyridin-4-ylmethyl)piperazine oxalate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-((4-Nitrophenyl)sulfonyl)-4-(pyridin-4-ylmethyl)piperazine oxalate has 2 hydrogen bond donor(s) and 8 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 1-((4-Nitrophenyl)sulfonyl)-4-(pyridin-4-ylmethyl)piperazine oxalate?
The CAS number of 1-((4-Nitrophenyl)sulfonyl)-4-(pyridin-4-ylmethyl)piperazine oxalate is 1185358-31-9.
What is the molecular formula of 1-((4-Nitrophenyl)sulfonyl)-4-(pyridin-4-ylmethyl)piperazine oxalate?
The molecular formula of 1-((4-Nitrophenyl)sulfonyl)-4-(pyridin-4-ylmethyl)piperazine oxalate is C18H20N4O8S.
What is the molecular weight of 1-((4-Nitrophenyl)sulfonyl)-4-(pyridin-4-ylmethyl)piperazine oxalate?
The molecular weight of 1-((4-Nitrophenyl)sulfonyl)-4-(pyridin-4-ylmethyl)piperazine oxalate is 452.10 g/mol.
Where can I buy 1-((4-Nitrophenyl)sulfonyl)-4-(pyridin-4-ylmethyl)piperazine oxalate?
You can request a quote for 1-((4-Nitrophenyl)sulfonyl)-4-(pyridin-4-ylmethyl)piperazine oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-((4-Nitrophenyl)sulfonyl)-4-(pyridin-4-ylmethyl)piperazine oxalate?
Yes, KEHONG BIO provides custom synthesis services for 1-((4-Nitrophenyl)sulfonyl)-4-(pyridin-4-ylmethyl)piperazine oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.