![3-((4-methyl-5-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one structure](/static/products/847/847400-13-9.png)
3-((4-methyl-5-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one
TL;DR: 3-((4-methyl-5-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one (CAS 847400-13-9) is a chemical compound with molecular formula C23H24N6O2S2 and molecular weight 480.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-methyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one
Also Known As: 3-((4-methyl-5-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one, 3-[(4-methyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1,3-benzothiazol-2-one, 3-[[4-methyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one
| Molecular Formula | C23H24N6O2S2 |
|---|---|
| Molecular Weight | 480.14 g/mol |
| LogP | 2.6807 |
| Topological Polar Surface Area | 76.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 480.14023 |
| Heavy Atoms | 33 |
| Complexity | 1321.7336 |
Chemical Identifiers
| CAS Number | 847400-13-9 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)CN4C5=CC=CC=C5SC4=O |
Product Overview
3-((4-methyl-5-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one (CAS 847400-13-9), with molecular formula C23H24N6O2S2 and molecular weight 480.14 g/mol. IUPAC: 3-[[4-methyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one.
Chemical Property Profile of 3-((4-methyl-5-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one
Property Insights of 3-((4-methyl-5-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one
The XLogP value of 2.6807 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((4-methyl-5-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one. The TPSA of 76.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((4-methyl-5-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one. Following Lipinski's Rule of Five, 3-((4-methyl-5-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one 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 3-((4-methyl-5-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one?
The CAS number of 3-((4-methyl-5-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one is 847400-13-9.
What is the molecular formula of 3-((4-methyl-5-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one?
The molecular formula of 3-((4-methyl-5-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one is C23H24N6O2S2.
What is the molecular weight of 3-((4-methyl-5-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one?
The molecular weight of 3-((4-methyl-5-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one is 480.14 g/mol.
Where can I buy 3-((4-methyl-5-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one?
You can request a quote for 3-((4-methyl-5-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((4-methyl-5-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-((4-methyl-5-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.