![2-{[5-(4-methoxybenzyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-phenylethyl)acetamide structure](/static/products/6932/693230-77-2.webp)
2-{[5-(4-methoxybenzyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-phenylethyl)acetamide
TL;DR: 2-{[5-(4-methoxybenzyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-phenylethyl)acetamide (CAS 693230-77-2) is a chemical compound with molecular formula C21H24N4O2S and molecular weight 396.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(4-methoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)acetamide
Also Known As: 2-{[5-(4-methoxybenzyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-phenylethyl)acetamide, 2-[[5-[(4-methoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)acetamide
| Molecular Formula | C21H24N4O2S |
|---|---|
| Molecular Weight | 396.16 g/mol |
| LogP | 3.384 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 396.162 |
| Heavy Atoms | 28 |
| Complexity | 909.91486 |
Chemical Identifiers
| CAS Number | 693230-77-2 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)NC(=O)CSC2=NN=C(N2C)CC3=CC=C(C=C3)OC |
Product Overview
2-{[5-(4-methoxybenzyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-phenylethyl)acetamide (CAS 693230-77-2), with molecular formula C21H24N4O2S and molecular weight 396.16 g/mol. IUPAC: 2-[[5-[(4-methoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)acetamide.
Chemical Property Profile of 2-{[5-(4-methoxybenzyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-phenylethyl)acetamide
Property Insights of 2-{[5-(4-methoxybenzyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-phenylethyl)acetamide
The XLogP value of 3.384 indicates that 2-{[5-(4-methoxybenzyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-phenylethyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[5-(4-methoxybenzyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-phenylethyl)acetamide. Following Lipinski's Rule of Five, 2-{[5-(4-methoxybenzyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-phenylethyl)acetamide has 1 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 2-{[5-(4-methoxybenzyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-phenylethyl)acetamide?
The CAS number of 2-{[5-(4-methoxybenzyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-phenylethyl)acetamide is 693230-77-2.
What is the molecular formula of 2-{[5-(4-methoxybenzyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-phenylethyl)acetamide?
The molecular formula of 2-{[5-(4-methoxybenzyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-phenylethyl)acetamide is C21H24N4O2S.
What is the molecular weight of 2-{[5-(4-methoxybenzyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-phenylethyl)acetamide?
The molecular weight of 2-{[5-(4-methoxybenzyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-phenylethyl)acetamide is 396.16 g/mol.
Where can I buy 2-{[5-(4-methoxybenzyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-phenylethyl)acetamide?
You can request a quote for 2-{[5-(4-methoxybenzyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-phenylethyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[5-(4-methoxybenzyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-phenylethyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[5-(4-methoxybenzyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-phenylethyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.