![3-{4-(4-ethoxyphenyl)-5-[(4-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine structure](/static/products/6132/613227-20-6.webp)
3-{4-(4-ethoxyphenyl)-5-[(4-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine
TL;DR: 3-{4-(4-ethoxyphenyl)-5-[(4-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine (CAS 613227-20-6) is a chemical compound with molecular formula C23H22N4OS and molecular weight 402.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(4-ethoxyphenyl)-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine
Also Known As: 3-{4-(4-ethoxyphenyl)-5-[(4-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine, 3-(4-(4-ETHOXYPHENYL)-5-((4-ME-BENZYL)SULFANYL)-4H-1,2,4-TRIAZOL-3-YL)PYRIDINE, 3-(4-(4-ethoxyphenyl)-5-((4-methylbenzyl)thio)-4H-1,2,4-triazol-3-yl)pyridine, 3-[4-(4-ethoxyphenyl)-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine, 4-ethoxy-1-{3-[(4-methylphenyl)methylthio]-5-(3-pyridyl)(1,2,4-triazol-4-yl)}b enzene
| Molecular Formula | C23H22N4OS |
|---|---|
| Molecular Weight | 402.15 g/mol |
| LogP | 5.32872 |
| Topological Polar Surface Area | 52.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 402.15143 |
| Heavy Atoms | 29 |
| Complexity | 1060.5004 |
Chemical Identifiers
| CAS Number | 613227-20-6 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C)C4=CN=CC=C4 |
Product Overview
3-{4-(4-ethoxyphenyl)-5-[(4-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine (CAS 613227-20-6), with molecular formula C23H22N4OS and molecular weight 402.15 g/mol. IUPAC: 3-[4-(4-ethoxyphenyl)-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine.
Chemical Property Profile of 3-{4-(4-ethoxyphenyl)-5-[(4-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine
Property Insights of 3-{4-(4-ethoxyphenyl)-5-[(4-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine
The XLogP value of 5.32872 indicates that 3-{4-(4-ethoxyphenyl)-5-[(4-methylbenzyl)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 52.83 Ų, 3-{4-(4-ethoxyphenyl)-5-[(4-methylbenzyl)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, 3-{4-(4-ethoxyphenyl)-5-[(4-methylbenzyl)sulfanyl]-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-{4-(4-ethoxyphenyl)-5-[(4-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine?
The CAS number of 3-{4-(4-ethoxyphenyl)-5-[(4-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine is 613227-20-6.
What is the molecular formula of 3-{4-(4-ethoxyphenyl)-5-[(4-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine?
The molecular formula of 3-{4-(4-ethoxyphenyl)-5-[(4-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine is C23H22N4OS.
What is the molecular weight of 3-{4-(4-ethoxyphenyl)-5-[(4-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine?
The molecular weight of 3-{4-(4-ethoxyphenyl)-5-[(4-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine is 402.15 g/mol.
Where can I buy 3-{4-(4-ethoxyphenyl)-5-[(4-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine?
You can request a quote for 3-{4-(4-ethoxyphenyl)-5-[(4-methylbenzyl)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 3-{4-(4-ethoxyphenyl)-5-[(4-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine?
Yes, KEHONG BIO provides custom synthesis services for 3-{4-(4-ethoxyphenyl)-5-[(4-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.