![2-{[5-(4-aminophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxybenzyl)acetamide structure](/static/products/6932/693236-21-4.webp)
2-{[5-(4-aminophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxybenzyl)acetamide
TL;DR: 2-{[5-(4-aminophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxybenzyl)acetamide (CAS 693236-21-4) is a chemical compound with molecular formula C20H23N5O2S and molecular weight 397.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
Also Known As: 2-{[5-(4-aminophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxybenzyl)acetamide, 2-[[5-(4-Aminophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]thio]-N-[(4-methoxyphenyl)methyl]acetamide, 2-[[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide, 2-{[5-(4-aminophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]thio}-N-(4-methoxybenzyl)acetamide, 2-{[5-(4-Aminophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(4-methoxyphenyl)methyl]acetamide
| Molecular Formula | C20H23N5O2S |
|---|---|
| Molecular Weight | 397.16 g/mol |
| LogP | 2.9643 |
| Topological Polar Surface Area | 95.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 397.15726 |
| Heavy Atoms | 28 |
| Complexity | 922.77405 |
Chemical Identifiers
| CAS Number | 693236-21-4 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NCC2=CC=C(C=C2)OC)C3=CC=C(C=C3)N |
Product Overview
2-{[5-(4-aminophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxybenzyl)acetamide (CAS 693236-21-4), with molecular formula C20H23N5O2S and molecular weight 397.16 g/mol. IUPAC: 2-[[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide.
Chemical Property Profile of 2-{[5-(4-aminophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxybenzyl)acetamide
Property Insights of 2-{[5-(4-aminophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxybenzyl)acetamide
The XLogP value of 2.9643 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[5-(4-aminophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxybenzyl)acetamide. The TPSA of 95.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[5-(4-aminophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxybenzyl)acetamide. Following Lipinski's Rule of Five, 2-{[5-(4-aminophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxybenzyl)acetamide has 2 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 2-{[5-(4-aminophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxybenzyl)acetamide?
The CAS number of 2-{[5-(4-aminophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxybenzyl)acetamide is 693236-21-4.
What is the molecular formula of 2-{[5-(4-aminophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxybenzyl)acetamide?
The molecular formula of 2-{[5-(4-aminophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxybenzyl)acetamide is C20H23N5O2S.
What is the molecular weight of 2-{[5-(4-aminophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxybenzyl)acetamide?
The molecular weight of 2-{[5-(4-aminophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxybenzyl)acetamide is 397.16 g/mol.
Where can I buy 2-{[5-(4-aminophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxybenzyl)acetamide?
You can request a quote for 2-{[5-(4-aminophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxybenzyl)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-aminophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxybenzyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[5-(4-aminophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxybenzyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.