![2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-ylethanone structure](/static/products/6927/692773-44-7.webp)
2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-ylethanone
TL;DR: 2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-ylethanone (CAS 692773-44-7) is a chemical compound with molecular formula C21H18N4OS and molecular weight 374.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-ylethanone
Also Known As: 2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-ylethanone, 2-{[5-(4-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(naphthalen-2-yl)ethanone
| Molecular Formula | C21H18N4OS |
|---|---|
| Molecular Weight | 374.12 g/mol |
| LogP | 4.1925 |
| Topological Polar Surface Area | 73.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 374.12012 |
| Heavy Atoms | 27 |
| Complexity | 1118.7019 |
Chemical Identifiers
| CAS Number | 692773-44-7 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)C2=CC3=CC=CC=C3C=C2)C4=CC=C(C=C4)N |
Product Overview
2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-ylethanone (CAS 692773-44-7), with molecular formula C21H18N4OS and molecular weight 374.12 g/mol. IUPAC: 2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-ylethanone.
Chemical Property Profile of 2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-ylethanone
Property Insights of 2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-ylethanone
The XLogP value of 4.1925 indicates that 2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-ylethanone 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-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-ylethanone. Following Lipinski's Rule of Five, 2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-ylethanone 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-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-ylethanone?
The CAS number of 2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-ylethanone is 692773-44-7.
What is the molecular formula of 2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-ylethanone?
The molecular formula of 2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-ylethanone is C21H18N4OS.
What is the molecular weight of 2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-ylethanone?
The molecular weight of 2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-ylethanone is 374.12 g/mol.
Where can I buy 2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-ylethanone?
You can request a quote for 2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-ylethanone 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-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-ylethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-ylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.