1-((4-Nitrophenyl)sulfonyl)-4-(thiophen-3-ylmethyl)piperazine oxalate
TL;DR: 1-((4-Nitrophenyl)sulfonyl)-4-(thiophen-3-ylmethyl)piperazine oxalate (CAS 1185463-31-3) is a chemical compound with molecular formula C17H19N3O8S2 and molecular weight 457.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-nitrophenyl)sulfonyl-4-(thiophen-3-ylmethyl)piperazine;oxalic acid
Also Known As: 1-((4-nitrophenyl)sulfonyl)-4-(thiophen-3-ylmethyl)piperazine oxalate, 1-(4-nitrophenyl)sulfonyl-4-(thiophen-3-ylmethyl)piperazine; oxalic acid, IUPAC: 1-(4-nitrophenyl)sulfonyl-4-(thiophen-3-ylmethyl)piperazine; Oxalic Acid
| Molecular Formula | C17H19N3O8S2 |
|---|---|
| Molecular Weight | 457.06 g/mol |
| LogP | 1.3184 |
| Topological Polar Surface Area | 158.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 457.06137 |
| Heavy Atoms | 30 |
| Complexity | 970.52045 |
Chemical Identifiers
| CAS Number | 1185463-31-3 |
|---|---|
| SMILES | C1CN(CCN1CC2=CSC=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-(thiophen-3-ylmethyl)piperazine oxalate (CAS 1185463-31-3), with molecular formula C17H19N3O8S2 and molecular weight 457.06 g/mol. IUPAC: 1-(4-nitrophenyl)sulfonyl-4-(thiophen-3-ylmethyl)piperazine;oxalic acid.
Chemical Property Profile of 1-((4-Nitrophenyl)sulfonyl)-4-(thiophen-3-ylmethyl)piperazine oxalate
Property Insights of 1-((4-Nitrophenyl)sulfonyl)-4-(thiophen-3-ylmethyl)piperazine oxalate
The XLogP value of 1.3184 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-((4-Nitrophenyl)sulfonyl)-4-(thiophen-3-ylmethyl)piperazine oxalate. The TPSA of 158.36 Ų indicates high polarity, suggesting 1-((4-Nitrophenyl)sulfonyl)-4-(thiophen-3-ylmethyl)piperazine oxalate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-((4-Nitrophenyl)sulfonyl)-4-(thiophen-3-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-(thiophen-3-ylmethyl)piperazine oxalate?
The CAS number of 1-((4-Nitrophenyl)sulfonyl)-4-(thiophen-3-ylmethyl)piperazine oxalate is 1185463-31-3.
What is the molecular formula of 1-((4-Nitrophenyl)sulfonyl)-4-(thiophen-3-ylmethyl)piperazine oxalate?
The molecular formula of 1-((4-Nitrophenyl)sulfonyl)-4-(thiophen-3-ylmethyl)piperazine oxalate is C17H19N3O8S2.
What is the molecular weight of 1-((4-Nitrophenyl)sulfonyl)-4-(thiophen-3-ylmethyl)piperazine oxalate?
The molecular weight of 1-((4-Nitrophenyl)sulfonyl)-4-(thiophen-3-ylmethyl)piperazine oxalate is 457.06 g/mol.
Where can I buy 1-((4-Nitrophenyl)sulfonyl)-4-(thiophen-3-ylmethyl)piperazine oxalate?
You can request a quote for 1-((4-Nitrophenyl)sulfonyl)-4-(thiophen-3-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-(thiophen-3-ylmethyl)piperazine oxalate?
Yes, KEHONG BIO provides custom synthesis services for 1-((4-Nitrophenyl)sulfonyl)-4-(thiophen-3-ylmethyl)piperazine oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.