(E)-4-((3-fluorobenzylidene)amino)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol
TL;DR: (E)-4-((3-fluorobenzylidene)amino)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol (CAS 498569-25-8) is a chemical compound with molecular formula C16H13FN4OS and molecular weight 328.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(3-fluorophenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione
Also Known As: (E)-4-((3-fluorobenzylidene)amino)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol, 4-[(1E)-2-(3-fluorophenyl)-1-azavinyl]-5-(phenoxymethyl)-1,2,4-triazole-3-thio l, 4-[(E)-(3-fluorophenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione, 4-{[(E)-(3-fluorophenyl)methylidene]amino}-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol, 4-{[(E)-(3-fluorophenyl)methylidene]amino}-5-(phenoxymethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C16H13FN4OS |
|---|---|
| Molecular Weight | 328.08 g/mol |
| LogP | 3.54099 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 328.0794 |
| Heavy Atoms | 23 |
| Complexity | 873.0417 |
Chemical Identifiers
| CAS Number | 498569-25-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCC2=NNC(=S)N2/N=C/C3=CC(=CC=C3)F |
Product Overview
(E)-4-((3-fluorobenzylidene)amino)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol (CAS 498569-25-8), with molecular formula C16H13FN4OS and molecular weight 328.08 g/mol. IUPAC: 4-[(E)-(3-fluorophenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of (E)-4-((3-fluorobenzylidene)amino)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol
Property Insights of (E)-4-((3-fluorobenzylidene)amino)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.54099 indicates that (E)-4-((3-fluorobenzylidene)amino)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.2 Ų, (E)-4-((3-fluorobenzylidene)amino)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-4-((3-fluorobenzylidene)amino)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol 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 (E)-4-((3-fluorobenzylidene)amino)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of (E)-4-((3-fluorobenzylidene)amino)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol is 498569-25-8.
What is the molecular formula of (E)-4-((3-fluorobenzylidene)amino)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of (E)-4-((3-fluorobenzylidene)amino)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol is C16H13FN4OS.
What is the molecular weight of (E)-4-((3-fluorobenzylidene)amino)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of (E)-4-((3-fluorobenzylidene)amino)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol is 328.08 g/mol.
Where can I buy (E)-4-((3-fluorobenzylidene)amino)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for (E)-4-((3-fluorobenzylidene)amino)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-((3-fluorobenzylidene)amino)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-((3-fluorobenzylidene)amino)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.