5-(2-F-PH)4-((3,4,5-Tri-meo-benzylidene)amino)4H-1,2,4-triazol-3-YL hydrosulfide
TL;DR: 5-(2-F-PH)4-((3,4,5-Tri-meo-benzylidene)amino)4H-1,2,4-triazol-3-YL hydrosulfide (CAS 585558-79-8) is a chemical compound with molecular formula C18H17FN4O3S and molecular weight 388.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-fluorophenyl)-4-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: Salor-int l469076-1ea, 3-(2-Fluorophenyl)-4-((3,4,5-trimethoxybenzylidene)amino)-1H-1,2,4-triazole-5(4H)-thione, 5-(2-F-PH)4-((3,4,5-TRI-MEO-BENZYLIDENE)AMINO)4H-1,2,4-TRIAZOL-3-YL HYDROSULFIDE, (E)-5-(2-fluorophenyl)-4-((3,4,5-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol, 4-[(1E)-2-(3,4,5-trimethoxyphenyl)-1-azavinyl]-5-(2-fluorophenyl)-1,2,4-triazo le-3-thiol
| Molecular Formula | C18H17FN4O3S |
|---|---|
| Molecular Weight | 388.10 g/mol |
| LogP | 3.65479 |
| Topological Polar Surface Area | 73.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 388.10052 |
| Heavy Atoms | 27 |
| Complexity | 1020.0763 |
Chemical Identifiers
| CAS Number | 585558-79-8 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)/C=N/N2C(=NNC2=S)C3=CC=CC=C3F |
Product Overview
5-(2-F-PH)4-((3,4,5-Tri-meo-benzylidene)amino)4H-1,2,4-triazol-3-YL hydrosulfide (CAS 585558-79-8), with molecular formula C18H17FN4O3S and molecular weight 388.10 g/mol. IUPAC: 3-(2-fluorophenyl)-4-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(2-F-PH)4-((3,4,5-Tri-meo-benzylidene)amino)4H-1,2,4-triazol-3-YL hydrosulfide
Property Insights of 5-(2-F-PH)4-((3,4,5-Tri-meo-benzylidene)amino)4H-1,2,4-triazol-3-YL hydrosulfide
The XLogP value of 3.65479 indicates that 5-(2-F-PH)4-((3,4,5-Tri-meo-benzylidene)amino)4H-1,2,4-triazol-3-YL hydrosulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-F-PH)4-((3,4,5-Tri-meo-benzylidene)amino)4H-1,2,4-triazol-3-YL hydrosulfide. Following Lipinski's Rule of Five, 5-(2-F-PH)4-((3,4,5-Tri-meo-benzylidene)amino)4H-1,2,4-triazol-3-YL hydrosulfide has 1 hydrogen bond donor(s) and 6 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 5-(2-F-PH)4-((3,4,5-Tri-meo-benzylidene)amino)4H-1,2,4-triazol-3-YL hydrosulfide?
The CAS number of 5-(2-F-PH)4-((3,4,5-Tri-meo-benzylidene)amino)4H-1,2,4-triazol-3-YL hydrosulfide is 585558-79-8.
What is the molecular formula of 5-(2-F-PH)4-((3,4,5-Tri-meo-benzylidene)amino)4H-1,2,4-triazol-3-YL hydrosulfide?
The molecular formula of 5-(2-F-PH)4-((3,4,5-Tri-meo-benzylidene)amino)4H-1,2,4-triazol-3-YL hydrosulfide is C18H17FN4O3S.
What is the molecular weight of 5-(2-F-PH)4-((3,4,5-Tri-meo-benzylidene)amino)4H-1,2,4-triazol-3-YL hydrosulfide?
The molecular weight of 5-(2-F-PH)4-((3,4,5-Tri-meo-benzylidene)amino)4H-1,2,4-triazol-3-YL hydrosulfide is 388.10 g/mol.
Where can I buy 5-(2-F-PH)4-((3,4,5-Tri-meo-benzylidene)amino)4H-1,2,4-triazol-3-YL hydrosulfide?
You can request a quote for 5-(2-F-PH)4-((3,4,5-Tri-meo-benzylidene)amino)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 5-(2-F-PH)4-((3,4,5-Tri-meo-benzylidene)amino)4H-1,2,4-triazol-3-YL hydrosulfide?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-F-PH)4-((3,4,5-Tri-meo-benzylidene)amino)4H-1,2,4-triazol-3-YL hydrosulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.