![1-(4-CHLOROPHENYL)-2-{[4-(4-METHYLPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ETHANONE structure](/static/products/4991/499124-87-7.webp)
1-(4-CHLOROPHENYL)-2-{[4-(4-METHYLPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ETHANONE
TL;DR: 1-(4-CHLOROPHENYL)-2-{[4-(4-METHYLPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ETHANONE (CAS 499124-87-7) is a chemical compound with molecular formula C22H17ClN4OS and molecular weight 420.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: 1-(4-CHLOROPHENYL)-2-{[4-(4-METHYLPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ETHANONE, 1-(4-chlorophenyl)-2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone, 1-(4-chlorophenyl)-2-((5-(pyridin-4-yl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)ethanone, 1-(4-chlorophenyl)-2-[4-(4-methylphenyl)-5-(4-pyridyl)(1,2,4-triazol-3-ylthio) ]ethan-1-one, 1-(4-chlorophenyl)-2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
| Molecular Formula | C22H17ClN4OS |
|---|---|
| Molecular Weight | 420.08 g/mol |
| LogP | 5.26612 |
| Topological Polar Surface Area | 60.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 420.08115 |
| Heavy Atoms | 29 |
| Complexity | 1125.9583 |
Chemical Identifiers
| CAS Number | 499124-87-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)Cl)C4=CC=NC=C4 |
Product Overview
1-(4-CHLOROPHENYL)-2-{[4-(4-METHYLPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ETHANONE (CAS 499124-87-7), with molecular formula C22H17ClN4OS and molecular weight 420.08 g/mol. IUPAC: 1-(4-chlorophenyl)-2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of 1-(4-CHLOROPHENYL)-2-{[4-(4-METHYLPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ETHANONE
Property Insights of 1-(4-CHLOROPHENYL)-2-{[4-(4-METHYLPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ETHANONE
The XLogP value of 5.26612 indicates that 1-(4-CHLOROPHENYL)-2-{[4-(4-METHYLPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}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 1-(4-CHLOROPHENYL)-2-{[4-(4-METHYLPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ETHANONE. Following Lipinski's Rule of Five, 1-(4-CHLOROPHENYL)-2-{[4-(4-METHYLPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}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 1-(4-CHLOROPHENYL)-2-{[4-(4-METHYLPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ETHANONE?
The CAS number of 1-(4-CHLOROPHENYL)-2-{[4-(4-METHYLPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ETHANONE is 499124-87-7.
What is the molecular formula of 1-(4-CHLOROPHENYL)-2-{[4-(4-METHYLPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ETHANONE?
The molecular formula of 1-(4-CHLOROPHENYL)-2-{[4-(4-METHYLPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ETHANONE is C22H17ClN4OS.
What is the molecular weight of 1-(4-CHLOROPHENYL)-2-{[4-(4-METHYLPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ETHANONE?
The molecular weight of 1-(4-CHLOROPHENYL)-2-{[4-(4-METHYLPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ETHANONE is 420.08 g/mol.
Where can I buy 1-(4-CHLOROPHENYL)-2-{[4-(4-METHYLPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ETHANONE?
You can request a quote for 1-(4-CHLOROPHENYL)-2-{[4-(4-METHYLPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ETHANONE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-CHLOROPHENYL)-2-{[4-(4-METHYLPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ETHANONE?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-CHLOROPHENYL)-2-{[4-(4-METHYLPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ETHANONE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.