![4-{4-(4-chlorophenyl)-5-[(2,5-dimethylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine structure](/static/products/6132/613226-06-5.webp)
4-{4-(4-chlorophenyl)-5-[(2,5-dimethylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine
TL;DR: 4-{4-(4-chlorophenyl)-5-[(2,5-dimethylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine (CAS 613226-06-5) is a chemical compound with molecular formula C22H19ClN4S and molecular weight 406.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(4-chlorophenyl)-5-[(2,5-dimethylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine
Also Known As: 4-{4-(4-chlorophenyl)-5-[(2,5-dimethylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine, 3-[(2,5-dimethylphenyl)methylthio]-4-(4-chlorophenyl)-5-(4-pyridyl)-1,2,4-tria zole, 4-(4-(4-chlorophenyl)-5-((2,5-dimethylbenzyl)thio)-4H-1,2,4-triazol-3-yl)pyridine, 4-[4-(4-chlorophenyl)-5-[(2,5-dimethylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine, 4-[4-(4-chlorophenyl)-5-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]pyridine
| Molecular Formula | C22H19ClN4S |
|---|---|
| Molecular Weight | 406.10 g/mol |
| LogP | 5.89184 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 406.1019 |
| Heavy Atoms | 28 |
| Complexity | 1091.4872 |
Chemical Identifiers
| CAS Number | 613226-06-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=NC=C4 |
Product Overview
4-{4-(4-chlorophenyl)-5-[(2,5-dimethylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine (CAS 613226-06-5), with molecular formula C22H19ClN4S and molecular weight 406.10 g/mol. IUPAC: 4-[4-(4-chlorophenyl)-5-[(2,5-dimethylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine.
Chemical Property Profile of 4-{4-(4-chlorophenyl)-5-[(2,5-dimethylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine
Property Insights of 4-{4-(4-chlorophenyl)-5-[(2,5-dimethylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine
The XLogP value of 5.89184 indicates that 4-{4-(4-chlorophenyl)-5-[(2,5-dimethylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.6 Ų, 4-{4-(4-chlorophenyl)-5-[(2,5-dimethylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-{4-(4-chlorophenyl)-5-[(2,5-dimethylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine 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 4-{4-(4-chlorophenyl)-5-[(2,5-dimethylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine?
The CAS number of 4-{4-(4-chlorophenyl)-5-[(2,5-dimethylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine is 613226-06-5.
What is the molecular formula of 4-{4-(4-chlorophenyl)-5-[(2,5-dimethylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine?
The molecular formula of 4-{4-(4-chlorophenyl)-5-[(2,5-dimethylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine is C22H19ClN4S.
What is the molecular weight of 4-{4-(4-chlorophenyl)-5-[(2,5-dimethylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine?
The molecular weight of 4-{4-(4-chlorophenyl)-5-[(2,5-dimethylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine is 406.10 g/mol.
Where can I buy 4-{4-(4-chlorophenyl)-5-[(2,5-dimethylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine?
You can request a quote for 4-{4-(4-chlorophenyl)-5-[(2,5-dimethylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{4-(4-chlorophenyl)-5-[(2,5-dimethylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine?
Yes, KEHONG BIO provides custom synthesis services for 4-{4-(4-chlorophenyl)-5-[(2,5-dimethylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.