![N-{1-[4-ethyl-5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-2-methylpropyl}-4-methylbenzamide structure](/static/products/6932/693266-30-7.webp)
N-{1-[4-ethyl-5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-2-methylpropyl}-4-methylbenzamide
TL;DR: N-{1-[4-ethyl-5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-2-methylpropyl}-4-methylbenzamide (CAS 693266-30-7) is a chemical compound with molecular formula C26H33N5O2S and molecular weight 479.24 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-(1-phenylethylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]-2-methylpropyl]-4-methylbenzamide
Also Known As: N-{1-[4-ethyl-5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-2-methylpropyl}-4-methylbenzamide, N-[1-[4-ethyl-5-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]-2-methylpropyl]-4-methylbenzamide
| Molecular Formula | C26H33N5O2S |
|---|---|
| Molecular Weight | 479.24 g/mol |
| LogP | 4.70302 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 479.2355 |
| Heavy Atoms | 34 |
| Complexity | 1096.1385 |
Chemical Identifiers
| CAS Number | 693266-30-7 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC(C)C2=CC=CC=C2)C(C(C)C)NC(=O)C3=CC=C(C=C3)C |
Product Overview
N-{1-[4-ethyl-5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-2-methylpropyl}-4-methylbenzamide (CAS 693266-30-7), with molecular formula C26H33N5O2S and molecular weight 479.24 g/mol. IUPAC: N-[1-[4-ethyl-5-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]-2-methylpropyl]-4-methylbenzamide.
Chemical Property Profile of N-{1-[4-ethyl-5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-2-methylpropyl}-4-methylbenzamide
Property Insights of N-{1-[4-ethyl-5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-2-methylpropyl}-4-methylbenzamide
The XLogP value of 4.70302 indicates that N-{1-[4-ethyl-5-({2-oxo-2-[(1-phenylethyl)amino]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 88.91 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{1-[4-ethyl-5-({2-oxo-2-[(1-phenylethyl)amino]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-[(1-phenylethyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-2-methylpropyl}-4-methylbenzamide has 2 hydrogen bond donor(s) and 5 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-{1-[4-ethyl-5-({2-oxo-2-[(1-phenylethyl)amino]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-[(1-phenylethyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-2-methylpropyl}-4-methylbenzamide is 693266-30-7.
What is the molecular formula of N-{1-[4-ethyl-5-({2-oxo-2-[(1-phenylethyl)amino]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-[(1-phenylethyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-2-methylpropyl}-4-methylbenzamide is C26H33N5O2S.
What is the molecular weight of N-{1-[4-ethyl-5-({2-oxo-2-[(1-phenylethyl)amino]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-[(1-phenylethyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-2-methylpropyl}-4-methylbenzamide is 479.24 g/mol.
Where can I buy N-{1-[4-ethyl-5-({2-oxo-2-[(1-phenylethyl)amino]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-[(1-phenylethyl)amino]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-[(1-phenylethyl)amino]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-[(1-phenylethyl)amino]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.