![N-{[4-ethyl-5-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-methylbenzamide structure](/static/products/6944/694466-90-5.webp)
N-{[4-ethyl-5-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-methylbenzamide
TL;DR: N-{[4-ethyl-5-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-methylbenzamide (CAS 694466-90-5) is a chemical compound with molecular formula C23H27N5O2S and molecular weight 437.19 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-(2-phenylethylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-methylbenzamide
Also Known As: N-{[4-ethyl-5-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-methylbenzamide, N-[[4-ethyl-5-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-methylbenzamide, N-[[4-ethyl-5-[2-oxo-2-(phenethylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-methylbenzamide
| Molecular Formula | C23H27N5O2S |
|---|---|
| Molecular Weight | 437.19 g/mol |
| LogP | 2.98742 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 437.18854 |
| Heavy Atoms | 31 |
| Complexity | 1002.5661 |
Chemical Identifiers
| CAS Number | 694466-90-5 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NCCC2=CC=CC=C2)CNC(=O)C3=CC=C(C=C3)C |
Product Overview
N-{[4-ethyl-5-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-methylbenzamide (CAS 694466-90-5), with molecular formula C23H27N5O2S and molecular weight 437.19 g/mol. IUPAC: N-[[4-ethyl-5-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-methylbenzamide.
Chemical Property Profile of N-{[4-ethyl-5-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-methylbenzamide
Property Insights of N-{[4-ethyl-5-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-methylbenzamide
The XLogP value of 2.98742 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-{[4-ethyl-5-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-methylbenzamide. The TPSA of 88.91 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{[4-ethyl-5-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-methylbenzamide. Following Lipinski's Rule of Five, N-{[4-ethyl-5-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-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-{[4-ethyl-5-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-methylbenzamide?
The CAS number of N-{[4-ethyl-5-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-methylbenzamide is 694466-90-5.
What is the molecular formula of N-{[4-ethyl-5-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-methylbenzamide?
The molecular formula of N-{[4-ethyl-5-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-methylbenzamide is C23H27N5O2S.
What is the molecular weight of N-{[4-ethyl-5-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-methylbenzamide?
The molecular weight of N-{[4-ethyl-5-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-methylbenzamide is 437.19 g/mol.
Where can I buy N-{[4-ethyl-5-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-methylbenzamide?
You can request a quote for N-{[4-ethyl-5-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-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-{[4-ethyl-5-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-{[4-ethyl-5-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.