4-((2,5-Dimethoxybenzylidene)amino)-5-(2-F-PH)4H-1,2,4-triazol-3-YL hydrosulfide
TL;DR: 4-((2,5-Dimethoxybenzylidene)amino)-5-(2-F-PH)4H-1,2,4-triazol-3-YL hydrosulfide (CAS 586994-98-1) is a chemical compound with molecular formula C17H15FN4O2S and molecular weight 358.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-3-(2-fluorophenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-((2,5-Dimethoxybenzylidene)amino)-3-(2-fluorophenyl)-1H-1,2,4-triazole-5(4H)-thione, (E)-4-((2,5-dimethoxybenzylidene)amino)-5-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol, 4-((2,5-Dimethoxybenzylidene)amino)-5-(2-F-PH)4H-1,2,4-triazol-3-YL hydrosulfide, 4-[(1E)-2-(2,5-dimethoxyphenyl)-1-azavinyl]-5-(2-fluorophenyl)-1,2,4-triazole- 3-thiol, 4-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-3-(2-fluorophenyl)-1H-1,2,4-triazole-5-thione
| Molecular Formula | C17H15FN4O2S |
|---|---|
| Molecular Weight | 358.09 g/mol |
| LogP | 3.64619 |
| Topological Polar Surface Area | 64.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 358.08997 |
| Heavy Atoms | 25 |
| Complexity | 980.77435 |
Chemical Identifiers
| CAS Number | 586994-98-1 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)/C=N/N2C(=NNC2=S)C3=CC=CC=C3F |
Product Overview
4-((2,5-Dimethoxybenzylidene)amino)-5-(2-F-PH)4H-1,2,4-triazol-3-YL hydrosulfide (CAS 586994-98-1), with molecular formula C17H15FN4O2S and molecular weight 358.09 g/mol. IUPAC: 4-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-3-(2-fluorophenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-((2,5-Dimethoxybenzylidene)amino)-5-(2-F-PH)4H-1,2,4-triazol-3-YL hydrosulfide
Property Insights of 4-((2,5-Dimethoxybenzylidene)amino)-5-(2-F-PH)4H-1,2,4-triazol-3-YL hydrosulfide
The XLogP value of 3.64619 indicates that 4-((2,5-Dimethoxybenzylidene)amino)-5-(2-F-PH)4H-1,2,4-triazol-3-YL hydrosulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((2,5-Dimethoxybenzylidene)amino)-5-(2-F-PH)4H-1,2,4-triazol-3-YL hydrosulfide. Following Lipinski's Rule of Five, 4-((2,5-Dimethoxybenzylidene)amino)-5-(2-F-PH)4H-1,2,4-triazol-3-YL hydrosulfide has 1 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 4-((2,5-Dimethoxybenzylidene)amino)-5-(2-F-PH)4H-1,2,4-triazol-3-YL hydrosulfide?
The CAS number of 4-((2,5-Dimethoxybenzylidene)amino)-5-(2-F-PH)4H-1,2,4-triazol-3-YL hydrosulfide is 586994-98-1.
What is the molecular formula of 4-((2,5-Dimethoxybenzylidene)amino)-5-(2-F-PH)4H-1,2,4-triazol-3-YL hydrosulfide?
The molecular formula of 4-((2,5-Dimethoxybenzylidene)amino)-5-(2-F-PH)4H-1,2,4-triazol-3-YL hydrosulfide is C17H15FN4O2S.
What is the molecular weight of 4-((2,5-Dimethoxybenzylidene)amino)-5-(2-F-PH)4H-1,2,4-triazol-3-YL hydrosulfide?
The molecular weight of 4-((2,5-Dimethoxybenzylidene)amino)-5-(2-F-PH)4H-1,2,4-triazol-3-YL hydrosulfide is 358.09 g/mol.
Where can I buy 4-((2,5-Dimethoxybenzylidene)amino)-5-(2-F-PH)4H-1,2,4-triazol-3-YL hydrosulfide?
You can request a quote for 4-((2,5-Dimethoxybenzylidene)amino)-5-(2-F-PH)4H-1,2,4-triazol-3-YL hydrosulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((2,5-Dimethoxybenzylidene)amino)-5-(2-F-PH)4H-1,2,4-triazol-3-YL hydrosulfide?
Yes, KEHONG BIO provides custom synthesis services for 4-((2,5-Dimethoxybenzylidene)amino)-5-(2-F-PH)4H-1,2,4-triazol-3-YL hydrosulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.