![2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone structure](/static/products/3972/397290-86-7.webp)
2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone
TL;DR: 2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone (CAS 397290-86-7) is a chemical compound with molecular formula C22H16ClN3OS and molecular weight 405.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone
Also Known As: 2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone, 2-((5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-1-phenylethanone, 2-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone, 2-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone, 2-[5-(2-chlorophenyl)-4-phenyl(1,2,4-triazol-3-ylthio)]-1-phenylethan-1-one
| Molecular Formula | C22H16ClN3OS |
|---|---|
| Molecular Weight | 405.07 g/mol |
| LogP | 5.5627 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 405.07025 |
| Heavy Atoms | 28 |
| Complexity | 1097.2421 |
Chemical Identifiers
| CAS Number | 397290-86-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4Cl |
Product Overview
2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone (CAS 397290-86-7), with molecular formula C22H16ClN3OS and molecular weight 405.07 g/mol. IUPAC: 2-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone.
Chemical Property Profile of 2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone
Property Insights of 2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone
The XLogP value of 5.5627 indicates that 2-{[5-(2-chlorophenyl)-4-phenyl-4H-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-{[5-(2-chlorophenyl)-4-phenyl-4H-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-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone?
The CAS number of 2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone is 397290-86-7.
What is the molecular formula of 2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone?
The molecular formula of 2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone is C22H16ClN3OS.
What is the molecular weight of 2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone?
The molecular weight of 2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone is 405.07 g/mol.
Where can I buy 2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone?
You can request a quote for 2-{[5-(2-chlorophenyl)-4-phenyl-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-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.