2-(4-allyl-5-((4-fluorobenzyl)thio)-4H-1,2,4-triazol-3-yl)phenol
TL;DR: 2-(4-allyl-5-((4-fluorobenzyl)thio)-4H-1,2,4-triazol-3-yl)phenol (CAS 897546-48-4) is a chemical compound with molecular formula C18H16FN3OS and molecular weight 341.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[(4-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]phenol
Also Known As: 2-(4-allyl-5-((4-fluorobenzyl)thio)-4H-1,2,4-triazol-3-yl)phenol, 2-{5-[(4-fluorobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}phenol, (6Z)-6-[3-[(4-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one, 6-[3-[(4-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one
| Molecular Formula | C18H16FN3OS |
|---|---|
| Molecular Weight | 341.10 g/mol |
| LogP | 4.2681 |
| Topological Polar Surface Area | 50.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 341.09982 |
| Heavy Atoms | 24 |
| Complexity | 845.72516 |
Chemical Identifiers
| CAS Number | 897546-48-4 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC2=CC=C(C=C2)F)C3=CC=CC=C3O |
Product Overview
2-(4-allyl-5-((4-fluorobenzyl)thio)-4H-1,2,4-triazol-3-yl)phenol (CAS 897546-48-4), with molecular formula C18H16FN3OS and molecular weight 341.10 g/mol. IUPAC: 2-[5-[(4-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]phenol.
Chemical Property Profile of 2-(4-allyl-5-((4-fluorobenzyl)thio)-4H-1,2,4-triazol-3-yl)phenol
Property Insights of 2-(4-allyl-5-((4-fluorobenzyl)thio)-4H-1,2,4-triazol-3-yl)phenol
The XLogP value of 4.2681 indicates that 2-(4-allyl-5-((4-fluorobenzyl)thio)-4H-1,2,4-triazol-3-yl)phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.94 Ų, 2-(4-allyl-5-((4-fluorobenzyl)thio)-4H-1,2,4-triazol-3-yl)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-allyl-5-((4-fluorobenzyl)thio)-4H-1,2,4-triazol-3-yl)phenol has 1 hydrogen bond donor(s) and 4 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 2-(4-allyl-5-((4-fluorobenzyl)thio)-4H-1,2,4-triazol-3-yl)phenol?
The CAS number of 2-(4-allyl-5-((4-fluorobenzyl)thio)-4H-1,2,4-triazol-3-yl)phenol is 897546-48-4.
What is the molecular formula of 2-(4-allyl-5-((4-fluorobenzyl)thio)-4H-1,2,4-triazol-3-yl)phenol?
The molecular formula of 2-(4-allyl-5-((4-fluorobenzyl)thio)-4H-1,2,4-triazol-3-yl)phenol is C18H16FN3OS.
What is the molecular weight of 2-(4-allyl-5-((4-fluorobenzyl)thio)-4H-1,2,4-triazol-3-yl)phenol?
The molecular weight of 2-(4-allyl-5-((4-fluorobenzyl)thio)-4H-1,2,4-triazol-3-yl)phenol is 341.10 g/mol.
Where can I buy 2-(4-allyl-5-((4-fluorobenzyl)thio)-4H-1,2,4-triazol-3-yl)phenol?
You can request a quote for 2-(4-allyl-5-((4-fluorobenzyl)thio)-4H-1,2,4-triazol-3-yl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-allyl-5-((4-fluorobenzyl)thio)-4H-1,2,4-triazol-3-yl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-allyl-5-((4-fluorobenzyl)thio)-4H-1,2,4-triazol-3-yl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.