![N-[1-(4-ethyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-4-methylbenzamide structure](/static/products/6938/693813-73-9.webp)
N-[1-(4-ethyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-4-methylbenzamide
TL;DR: N-[1-(4-ethyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-4-methylbenzamide (CAS 693813-73-9) is a chemical compound with molecular formula C28H36N6O2S and molecular weight 520.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-[4-ethyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]-2-methylpropyl]-4-methylbenzamide
Also Known As: N-[1-(4-ethyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-4-methylbenzamide, N-[1-[4-ethyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]-2-methylpropyl]-4-methylbenzamide
| Molecular Formula | C28H36N6O2S |
|---|---|
| Molecular Weight | 520.26 g/mol |
| LogP | 4.17442 |
| Topological Polar Surface Area | 83.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 520.262 |
| Heavy Atoms | 37 |
| Complexity | 1187.1412 |
Chemical Identifiers
| CAS Number | 693813-73-9 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)C(C(C)C)NC(=O)C4=CC=C(C=C4)C |
Product Overview
N-[1-(4-ethyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-4-methylbenzamide (CAS 693813-73-9), with molecular formula C28H36N6O2S and molecular weight 520.26 g/mol. IUPAC: N-[1-[4-ethyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]-2-methylpropyl]-4-methylbenzamide.
Chemical Property Profile of N-[1-(4-ethyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-4-methylbenzamide
Property Insights of N-[1-(4-ethyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-4-methylbenzamide
The XLogP value of 4.17442 indicates that N-[1-(4-ethyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-4-methylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.36 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[1-(4-ethyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-4-methylbenzamide. Following Lipinski's Rule of Five, N-[1-(4-ethyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-4-methylbenzamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[1-(4-ethyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-4-methylbenzamide?
The CAS number of N-[1-(4-ethyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-4-methylbenzamide is 693813-73-9.
What is the molecular formula of N-[1-(4-ethyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-4-methylbenzamide?
The molecular formula of N-[1-(4-ethyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-4-methylbenzamide is C28H36N6O2S.
What is the molecular weight of N-[1-(4-ethyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-4-methylbenzamide?
The molecular weight of N-[1-(4-ethyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-4-methylbenzamide is 520.26 g/mol.
Where can I buy N-[1-(4-ethyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-4-methylbenzamide?
You can request a quote for N-[1-(4-ethyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-4-methylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[1-(4-ethyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-4-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[1-(4-ethyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-4-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.