![3-[5-(benzylsulfanyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]pyridine structure](/static/products/6132/613227-19-3.webp)
3-[5-(benzylsulfanyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]pyridine
TL;DR: 3-[5-(benzylsulfanyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]pyridine (CAS 613227-19-3) is a chemical compound with molecular formula C22H20N4OS and molecular weight 388.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-benzylsulfanyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]pyridine
Also Known As: TimTec1_003417, 3-[5-(benzylsulfanyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]pyridine, BRD-K83473524-001-01-9, 3-(5-(benzylthio)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)pyridine, 3-[5-benzylsulfanyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]pyridine
| Molecular Formula | C22H20N4OS |
|---|---|
| Molecular Weight | 388.14 g/mol |
| LogP | 5.0203 |
| Topological Polar Surface Area | 52.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 388.13577 |
| Heavy Atoms | 28 |
| Complexity | 1017.6132 |
Chemical Identifiers
| CAS Number | 613227-19-3 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3)C4=CN=CC=C4 |
Product Overview
3-[5-(benzylsulfanyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]pyridine (CAS 613227-19-3), with molecular formula C22H20N4OS and molecular weight 388.14 g/mol. IUPAC: 3-[5-benzylsulfanyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]pyridine.
Chemical Property Profile of 3-[5-(benzylsulfanyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]pyridine
Property Insights of 3-[5-(benzylsulfanyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]pyridine
The XLogP value of 5.0203 indicates that 3-[5-(benzylsulfanyl)-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-(benzylsulfanyl)-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-(benzylsulfanyl)-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-(benzylsulfanyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]pyridine?
The CAS number of 3-[5-(benzylsulfanyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]pyridine is 613227-19-3.
What is the molecular formula of 3-[5-(benzylsulfanyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]pyridine?
The molecular formula of 3-[5-(benzylsulfanyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]pyridine is C22H20N4OS.
What is the molecular weight of 3-[5-(benzylsulfanyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]pyridine?
The molecular weight of 3-[5-(benzylsulfanyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]pyridine is 388.14 g/mol.
Where can I buy 3-[5-(benzylsulfanyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]pyridine?
You can request a quote for 3-[5-(benzylsulfanyl)-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-(benzylsulfanyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]pyridine?
Yes, KEHONG BIO provides custom synthesis services for 3-[5-(benzylsulfanyl)-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.