![1-Methyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazine structure](/static/products/5917/591765-35-4.webp)
1-Methyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazine
TL;DR: 1-Methyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazine (CAS 591765-35-4) is a chemical compound with molecular formula C14H18N6O2S and molecular weight 334.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazine
Also Known As: 1-methyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazine, 1-methyl-4-{3-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl}piperazine, 1-methyl-4-(3-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-4-nitrophenyl)piperazine, 1-methyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitro-phenyl]piperazine, 1-methyl-4-{3-[(4-methyl-4H-1,2,4-triazol-3-yl)thio]-4-nitrophenyl}piperazine
| Molecular Formula | C14H18N6O2S |
|---|---|
| Molecular Weight | 334.12 g/mol |
| LogP | 1.6263 |
| Topological Polar Surface Area | 80.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 334.1212 |
| Heavy Atoms | 23 |
| Complexity | 711.0431 |
Chemical Identifiers
| CAS Number | 591765-35-4 |
|---|---|
| SMILES | CN1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])SC3=NN=CN3C |
Product Overview
1-Methyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazine (CAS 591765-35-4), with molecular formula C14H18N6O2S and molecular weight 334.12 g/mol. IUPAC: 1-methyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazine.
Chemical Property Profile of 1-Methyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazine
Property Insights of 1-Methyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazine
The XLogP value of 1.6263 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazine. The TPSA of 80.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazine. Following Lipinski's Rule of Five, 1-Methyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazine has 0 hydrogen bond donor(s) and 7 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-Methyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazine?
The CAS number of 1-Methyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazine is 591765-35-4.
What is the molecular formula of 1-Methyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazine?
The molecular formula of 1-Methyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazine is C14H18N6O2S.
What is the molecular weight of 1-Methyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazine?
The molecular weight of 1-Methyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazine is 334.12 g/mol.
Where can I buy 1-Methyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazine?
You can request a quote for 1-Methyl-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-Methyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-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.