![3-{5-[(2,4-dichlorobenzyl)sulfanyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}pyridine structure](/static/products/6132/613227-52-4.webp)
3-{5-[(2,4-dichlorobenzyl)sulfanyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}pyridine
TL;DR: 3-{5-[(2,4-dichlorobenzyl)sulfanyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}pyridine (CAS 613227-52-4) is a chemical compound with molecular formula C22H18Cl2N4OS and molecular weight 456.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]pyridine
Also Known As: 3-{5-[(2,4-dichlorobenzyl)sulfanyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}pyridine, 3-[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]pyridine, 3-(5-((2,4-dichlorobenzyl)thio)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)pyridine, 1-{3-[(2,4-dichlorophenyl)methylthio]-5-(3-pyridyl)(1,2,4-triazol-4-yl)}-4-eth oxybenzene, 3-(5-((2,4-DI-CL-BENZYL)SULFANYL)-4-(4-ETHOXY-PH)-4H-1,2,4-TRIAZOL-3-YL)PYRIDINE
| Molecular Formula | C22H18Cl2N4OS |
|---|---|
| Molecular Weight | 456.06 g/mol |
| LogP | 6.3271 |
| Topological Polar Surface Area | 52.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 456.05783 |
| Heavy Atoms | 30 |
| Complexity | 1133.85 |
Chemical Identifiers
| CAS Number | 613227-52-4 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=C(C=C(C=C3)Cl)Cl)C4=CN=CC=C4 |
Product Overview
3-{5-[(2,4-dichlorobenzyl)sulfanyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}pyridine (CAS 613227-52-4), with molecular formula C22H18Cl2N4OS and molecular weight 456.06 g/mol. IUPAC: 3-[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]pyridine.
Chemical Property Profile of 3-{5-[(2,4-dichlorobenzyl)sulfanyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}pyridine
Property Insights of 3-{5-[(2,4-dichlorobenzyl)sulfanyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}pyridine
The XLogP value of 6.3271 indicates that 3-{5-[(2,4-dichlorobenzyl)sulfanyl]-4-(4-ethoxyphenyl)-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 52.83 Ų, 3-{5-[(2,4-dichlorobenzyl)sulfanyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}pyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-{5-[(2,4-dichlorobenzyl)sulfanyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}pyridine 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 3-{5-[(2,4-dichlorobenzyl)sulfanyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}pyridine?
The CAS number of 3-{5-[(2,4-dichlorobenzyl)sulfanyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}pyridine is 613227-52-4.
What is the molecular formula of 3-{5-[(2,4-dichlorobenzyl)sulfanyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}pyridine?
The molecular formula of 3-{5-[(2,4-dichlorobenzyl)sulfanyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}pyridine is C22H18Cl2N4OS.
What is the molecular weight of 3-{5-[(2,4-dichlorobenzyl)sulfanyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}pyridine?
The molecular weight of 3-{5-[(2,4-dichlorobenzyl)sulfanyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}pyridine is 456.06 g/mol.
Where can I buy 3-{5-[(2,4-dichlorobenzyl)sulfanyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}pyridine?
You can request a quote for 3-{5-[(2,4-dichlorobenzyl)sulfanyl]-4-(4-ethoxyphenyl)-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 3-{5-[(2,4-dichlorobenzyl)sulfanyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}pyridine?
Yes, KEHONG BIO provides custom synthesis services for 3-{5-[(2,4-dichlorobenzyl)sulfanyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.