![1-(4-methylphenyl)sulfonyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazine structure](/static/products/5932/593237-69-5.webp)
1-(4-methylphenyl)sulfonyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazine
TL;DR: 1-(4-methylphenyl)sulfonyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazine (CAS 593237-69-5) is a chemical compound with molecular formula C20H22N6O4S2 and molecular weight 474.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylphenyl)sulfonyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazine
Also Known As: 1-(4-methylphenyl)sulfonyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazine, 1-[(4-methylphenyl)sulfonyl]-4-{3-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl}piperazine, 1-(3-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-4-nitrophenyl)-4-tosylpiperazine, 1-[(4-methylphenyl)sulfonyl]-4-{3-[(4-methyl-4H-1,2,4-triazol-3-yl)thio]-4-nitrophenyl}piperazine
| Molecular Formula | C20H22N6O4S2 |
|---|---|
| Molecular Weight | 474.11 g/mol |
| LogP | 2.69382 |
| Topological Polar Surface Area | 114.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 474.1144 |
| Heavy Atoms | 32 |
| Complexity | 1235.2308 |
Chemical Identifiers
| CAS Number | 593237-69-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])SC4=NN=CN4C |
Product Overview
1-(4-methylphenyl)sulfonyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazine (CAS 593237-69-5), with molecular formula C20H22N6O4S2 and molecular weight 474.11 g/mol. IUPAC: 1-(4-methylphenyl)sulfonyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazine.
Chemical Property Profile of 1-(4-methylphenyl)sulfonyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazine
Property Insights of 1-(4-methylphenyl)sulfonyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazine
The XLogP value of 2.69382 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-methylphenyl)sulfonyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazine. The TPSA of 114.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-methylphenyl)sulfonyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazine. Following Lipinski's Rule of Five, 1-(4-methylphenyl)sulfonyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazine has 0 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-methylphenyl)sulfonyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazine?
The CAS number of 1-(4-methylphenyl)sulfonyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazine is 593237-69-5.
What is the molecular formula of 1-(4-methylphenyl)sulfonyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazine?
The molecular formula of 1-(4-methylphenyl)sulfonyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazine is C20H22N6O4S2.
What is the molecular weight of 1-(4-methylphenyl)sulfonyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazine?
The molecular weight of 1-(4-methylphenyl)sulfonyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazine is 474.11 g/mol.
Where can I buy 1-(4-methylphenyl)sulfonyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazine?
You can request a quote for 1-(4-methylphenyl)sulfonyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-methylphenyl)sulfonyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-methylphenyl)sulfonyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.