![3-[5-[(3-chlorobenzyl)sulfanyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]pyridine structure](/static/products/6132/613227-40-0.webp)
3-[5-[(3-chlorobenzyl)sulfanyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]pyridine
TL;DR: 3-[5-[(3-chlorobenzyl)sulfanyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]pyridine (CAS 613227-40-0) is a chemical compound with molecular formula C22H19ClN4OS and molecular weight 422.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-[(3-chlorophenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]pyridine
Also Known As: 3-[5-[(3-chlorobenzyl)sulfanyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]pyridine, 3-[5-[(3-chlorophenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]pyridine, 1-{3-[(3-chlorophenyl)methylthio]-5-(3-pyridyl)(1,2,4-triazol-4-yl)}-4-ethoxyb enzene, 3-(5-((3-chlorobenzyl)thio)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)pyridine, 3-{5-[(3-chlorobenzyl)sulfanyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}pyridine
| Molecular Formula | C22H19ClN4OS |
|---|---|
| Molecular Weight | 422.10 g/mol |
| LogP | 5.6737 |
| Topological Polar Surface Area | 52.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 422.0968 |
| Heavy Atoms | 29 |
| Complexity | 1083.6848 |
Chemical Identifiers
| CAS Number | 613227-40-0 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=CC=C3)Cl)C4=CN=CC=C4 |
Product Overview
3-[5-[(3-chlorobenzyl)sulfanyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]pyridine (CAS 613227-40-0), with molecular formula C22H19ClN4OS and molecular weight 422.10 g/mol. IUPAC: 3-[5-[(3-chlorophenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]pyridine.
Chemical Property Profile of 3-[5-[(3-chlorobenzyl)sulfanyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]pyridine
Property Insights of 3-[5-[(3-chlorobenzyl)sulfanyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]pyridine
The XLogP value of 5.6737 indicates that 3-[5-[(3-chlorobenzyl)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-[(3-chlorobenzyl)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-[(3-chlorobenzyl)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-[(3-chlorobenzyl)sulfanyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]pyridine?
The CAS number of 3-[5-[(3-chlorobenzyl)sulfanyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]pyridine is 613227-40-0.
What is the molecular formula of 3-[5-[(3-chlorobenzyl)sulfanyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]pyridine?
The molecular formula of 3-[5-[(3-chlorobenzyl)sulfanyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]pyridine is C22H19ClN4OS.
What is the molecular weight of 3-[5-[(3-chlorobenzyl)sulfanyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]pyridine?
The molecular weight of 3-[5-[(3-chlorobenzyl)sulfanyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]pyridine is 422.10 g/mol.
Where can I buy 3-[5-[(3-chlorobenzyl)sulfanyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]pyridine?
You can request a quote for 3-[5-[(3-chlorobenzyl)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-[(3-chlorobenzyl)sulfanyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]pyridine?
Yes, KEHONG BIO provides custom synthesis services for 3-[5-[(3-chlorobenzyl)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.