![2-{[4-(4-CHLOROPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-1-(4-FLUOROPHENYL)ETHANONE structure](/static/products/6132/613225-72-2.webp)
2-{[4-(4-CHLOROPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-1-(4-FLUOROPHENYL)ETHANONE
TL;DR: 2-{[4-(4-CHLOROPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-1-(4-FLUOROPHENYL)ETHANONE (CAS 613225-72-2) is a chemical compound with molecular formula C21H14ClFN4OS and molecular weight 424.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)ethanone
Also Known As: 2-{[4-(4-CHLOROPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-1-(4-FLUOROPHENYL)ETHANONE, 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)ethanone, 2-((4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-fluorophenyl)ethanone, 2-[4-(4-chlorophenyl)-5-(4-pyridyl)(1,2,4-triazol-3-ylthio)]-1-(4-fluorophenyl )ethan-1-one, 2-{[4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one
| Molecular Formula | C21H14ClFN4OS |
|---|---|
| Molecular Weight | 424.06 g/mol |
| LogP | 5.0968 |
| Topological Polar Surface Area | 60.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 424.0561 |
| Heavy Atoms | 29 |
| Complexity | 1131.827 |
Chemical Identifiers
| CAS Number | 613225-72-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=NC=C4)F |
Product Overview
2-{[4-(4-CHLOROPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-1-(4-FLUOROPHENYL)ETHANONE (CAS 613225-72-2), with molecular formula C21H14ClFN4OS and molecular weight 424.06 g/mol. IUPAC: 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)ethanone.
Chemical Property Profile of 2-{[4-(4-CHLOROPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-1-(4-FLUOROPHENYL)ETHANONE
Property Insights of 2-{[4-(4-CHLOROPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-1-(4-FLUOROPHENYL)ETHANONE
The XLogP value of 5.0968 indicates that 2-{[4-(4-CHLOROPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-1-(4-FLUOROPHENYL)ETHANONE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[4-(4-CHLOROPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-1-(4-FLUOROPHENYL)ETHANONE. Following Lipinski's Rule of Five, 2-{[4-(4-CHLOROPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-1-(4-FLUOROPHENYL)ETHANONE has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-{[4-(4-CHLOROPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-1-(4-FLUOROPHENYL)ETHANONE?
The CAS number of 2-{[4-(4-CHLOROPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-1-(4-FLUOROPHENYL)ETHANONE is 613225-72-2.
What is the molecular formula of 2-{[4-(4-CHLOROPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-1-(4-FLUOROPHENYL)ETHANONE?
The molecular formula of 2-{[4-(4-CHLOROPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-1-(4-FLUOROPHENYL)ETHANONE is C21H14ClFN4OS.
What is the molecular weight of 2-{[4-(4-CHLOROPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-1-(4-FLUOROPHENYL)ETHANONE?
The molecular weight of 2-{[4-(4-CHLOROPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-1-(4-FLUOROPHENYL)ETHANONE is 424.06 g/mol.
Where can I buy 2-{[4-(4-CHLOROPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-1-(4-FLUOROPHENYL)ETHANONE?
You can request a quote for 2-{[4-(4-CHLOROPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-1-(4-FLUOROPHENYL)ETHANONE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[4-(4-CHLOROPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-1-(4-FLUOROPHENYL)ETHANONE?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-(4-CHLOROPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-1-(4-FLUOROPHENYL)ETHANONE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.