![3-methyl-7-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one structure](/static/products/869/869073-69-8.png)
3-methyl-7-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
TL;DR: 3-methyl-7-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one (CAS 869073-69-8) is a chemical compound with molecular formula C17H18N6O2S2 and molecular weight 402.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-7-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Also Known As: 3-methyl-7-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one, F1853-0017, 3-methyl-7-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one, 3-methyl-7-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
| Molecular Formula | C17H18N6O2S2 |
|---|---|
| Molecular Weight | 402.09 g/mol |
| LogP | 1.29532 |
| Topological Polar Surface Area | 83.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.09326 |
| Heavy Atoms | 27 |
| Complexity | 1011.1856 |
Chemical Identifiers
| CAS Number | 869073-69-8 |
|---|---|
| SMILES | CC1=NN=C2N(C1=O)N=C(S2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4 |
Product Overview
3-methyl-7-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one (CAS 869073-69-8), with molecular formula C17H18N6O2S2 and molecular weight 402.09 g/mol. IUPAC: 3-methyl-7-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one.
Chemical Property Profile of 3-methyl-7-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Property Insights of 3-methyl-7-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
The XLogP value of 1.29532 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-7-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one. The TPSA of 83.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-7-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one. Following Lipinski's Rule of Five, 3-methyl-7-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one 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 3-methyl-7-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one?
The CAS number of 3-methyl-7-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one is 869073-69-8.
What is the molecular formula of 3-methyl-7-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one?
The molecular formula of 3-methyl-7-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one is C17H18N6O2S2.
What is the molecular weight of 3-methyl-7-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one?
The molecular weight of 3-methyl-7-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one is 402.09 g/mol.
Where can I buy 3-methyl-7-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one?
You can request a quote for 3-methyl-7-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-7-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-7-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.