![2-{[5-(4-aminophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone structure](/static/products/500/500266-07-9.png)
2-{[5-(4-aminophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone
TL;DR: 2-{[5-(4-aminophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone (CAS 500266-07-9) is a chemical compound with molecular formula C18H18N4OS and molecular weight 338.12 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]-1-phenylethanone
Also Known As: AQ-088/41137413, 2-{[5-(4-aminophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone, 2-((5-(4-aminophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-1-phenylethanone, 2-[[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone
| Molecular Formula | C18H18N4OS |
|---|---|
| Molecular Weight | 338.12 g/mol |
| LogP | 3.5222 |
| Topological Polar Surface Area | 73.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 338.12012 |
| Heavy Atoms | 24 |
| Complexity | 827.9849 |
Chemical Identifiers
| CAS Number | 500266-07-9 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)N |
Product Overview
2-{[5-(4-aminophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone (CAS 500266-07-9), with molecular formula C18H18N4OS and molecular weight 338.12 g/mol. IUPAC: 2-[[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone.
Chemical Property Profile of 2-{[5-(4-aminophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone
Property Insights of 2-{[5-(4-aminophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone
The XLogP value of 3.5222 indicates that 2-{[5-(4-aminophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.8 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}-1-phenylethanone. Following Lipinski's Rule of Five, 2-{[5-(4-aminophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone 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-aminophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone?
The CAS number of 2-{[5-(4-aminophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone is 500266-07-9.
What is the molecular formula of 2-{[5-(4-aminophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone?
The molecular formula of 2-{[5-(4-aminophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone is C18H18N4OS.
What is the molecular weight of 2-{[5-(4-aminophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone?
The molecular weight of 2-{[5-(4-aminophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone is 338.12 g/mol.
Where can I buy 2-{[5-(4-aminophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone?
You can request a quote for 2-{[5-(4-aminophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone 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}-1-phenylethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-{[5-(4-aminophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.