![8-{[5-(benzylsulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methoxy}quinoline structure](/static/products/1020/102061-71-2.webp)
8-{[5-(benzylsulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methoxy}quinoline
TL;DR: 8-{[5-(benzylsulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methoxy}quinoline (CAS 102061-71-2) 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.
8-[(5-benzylsulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl)methoxy]quinoline
Also Known As: 8-{[5-(benzylsulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methoxy}quinoline, 8-[(5-benzylsulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl)methoxy]quinoline, F1743-0059, 8-((4-allyl-5-(benzylthio)-4H-1,2,4-triazol-3-yl)methoxy)quinoline, 8-{[4-allyl-5-(benzylthio)-4h-1,2,4-triazol-3-yl]methoxy}quinoline
| Molecular Formula | C22H20N4OS |
|---|---|
| Molecular Weight | 388.14 g/mol |
| LogP | 4.8836 |
| Topological Polar Surface Area | 52.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 388.13577 |
| Heavy Atoms | 28 |
| Complexity | 1073.0518 |
Chemical Identifiers
| CAS Number | 102061-71-2 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC2=CC=CC=C2)COC3=CC=CC4=C3N=CC=C4 |
Product Overview
8-{[5-(benzylsulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methoxy}quinoline (CAS 102061-71-2), with molecular formula C22H20N4OS and molecular weight 388.14 g/mol. IUPAC: 8-[(5-benzylsulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl)methoxy]quinoline.
Chemical Property Profile of 8-{[5-(benzylsulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methoxy}quinoline
Property Insights of 8-{[5-(benzylsulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methoxy}quinoline
The XLogP value of 4.8836 indicates that 8-{[5-(benzylsulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methoxy}quinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.83 Ų, 8-{[5-(benzylsulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methoxy}quinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-{[5-(benzylsulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methoxy}quinoline has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8-{[5-(benzylsulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methoxy}quinoline?
The CAS number of 8-{[5-(benzylsulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methoxy}quinoline is 102061-71-2.
What is the molecular formula of 8-{[5-(benzylsulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methoxy}quinoline?
The molecular formula of 8-{[5-(benzylsulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methoxy}quinoline is C22H20N4OS.
What is the molecular weight of 8-{[5-(benzylsulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methoxy}quinoline?
The molecular weight of 8-{[5-(benzylsulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methoxy}quinoline is 388.14 g/mol.
Where can I buy 8-{[5-(benzylsulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methoxy}quinoline?
You can request a quote for 8-{[5-(benzylsulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methoxy}quinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-{[5-(benzylsulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methoxy}quinoline?
Yes, KEHONG BIO provides custom synthesis services for 8-{[5-(benzylsulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methoxy}quinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.