![2-[(4-Methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone structure](/static/products/4826/482653-79-2.webp)
2-[(4-Methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone
TL;DR: 2-[(4-Methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone (CAS 482653-79-2) is a chemical compound with molecular formula C17H15N3OS and molecular weight 309.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone
Also Known As: BAS 02170811, 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone, 2-((4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-1-phenylethanone, 2-(4-methyl-5-phenyl(1,2,4-triazol-3-ylthio))-1-phenylethan-1-one, 2-(4-Methyl-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-1-phenyl-ethanone
| Molecular Formula | C17H15N3OS |
|---|---|
| Molecular Weight | 309.09 g/mol |
| LogP | 3.4571 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 309.0936 |
| Heavy Atoms | 22 |
| Complexity | 769.11285 |
Chemical Identifiers
| CAS Number | 482653-79-2 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C3=CC=CC=C3 |
Product Overview
2-[(4-Methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone (CAS 482653-79-2), with molecular formula C17H15N3OS and molecular weight 309.09 g/mol. IUPAC: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone.
Chemical Property Profile of 2-[(4-Methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone
Property Insights of 2-[(4-Methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone
The XLogP value of 3.4571 indicates that 2-[(4-Methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.78 Ų, 2-[(4-Methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-Methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone has 0 hydrogen bond donor(s) and 4 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-[(4-Methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone?
The CAS number of 2-[(4-Methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone is 482653-79-2.
What is the molecular formula of 2-[(4-Methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone?
The molecular formula of 2-[(4-Methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone is C17H15N3OS.
What is the molecular weight of 2-[(4-Methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone?
The molecular weight of 2-[(4-Methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone is 309.09 g/mol.
Where can I buy 2-[(4-Methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone?
You can request a quote for 2-[(4-Methyl-5-phenyl-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-[(4-Methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.