![N-[(4-ethyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-2-methylbenzamide structure](/static/products/6932/693266-83-0.webp)
N-[(4-ethyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-2-methylbenzamide
TL;DR: N-[(4-ethyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-2-methylbenzamide (CAS 693266-83-0) is a chemical compound with molecular formula C25H30N6O2S and molecular weight 478.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-ethyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-methylbenzamide
Also Known As: N-[(4-ethyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-2-methylbenzamide, N-[[4-ethyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-methylbenzamide
| Molecular Formula | C25H30N6O2S |
|---|---|
| Molecular Weight | 478.22 g/mol |
| LogP | 2.97732 |
| Topological Polar Surface Area | 83.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 478.2151 |
| Heavy Atoms | 34 |
| Complexity | 1125.4443 |
Chemical Identifiers
| CAS Number | 693266-83-0 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)CNC(=O)C4=CC=CC=C4C |
Product Overview
N-[(4-ethyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-2-methylbenzamide (CAS 693266-83-0), with molecular formula C25H30N6O2S and molecular weight 478.22 g/mol. IUPAC: N-[[4-ethyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-methylbenzamide.
Chemical Property Profile of N-[(4-ethyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-2-methylbenzamide
Property Insights of N-[(4-ethyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-2-methylbenzamide
The XLogP value of 2.97732 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(4-ethyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-2-methylbenzamide. The TPSA of 83.36 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(4-ethyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-2-methylbenzamide. Following Lipinski's Rule of Five, N-[(4-ethyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-2-methylbenzamide has 1 hydrogen bond donor(s) and 6 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 N-[(4-ethyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-2-methylbenzamide?
The CAS number of N-[(4-ethyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-2-methylbenzamide is 693266-83-0.
What is the molecular formula of N-[(4-ethyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-2-methylbenzamide?
The molecular formula of N-[(4-ethyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-2-methylbenzamide is C25H30N6O2S.
What is the molecular weight of N-[(4-ethyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-2-methylbenzamide?
The molecular weight of N-[(4-ethyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-2-methylbenzamide is 478.22 g/mol.
Where can I buy N-[(4-ethyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-2-methylbenzamide?
You can request a quote for N-[(4-ethyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-2-methylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(4-ethyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-2-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(4-ethyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-2-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.