4-((3-(Benzyloxy)benzylidene)amino)-5-(2-F-PH)4H-1,2,4-triazol-3-YL hydrosulfide
TL;DR: 4-((3-(Benzyloxy)benzylidene)amino)-5-(2-F-PH)4H-1,2,4-triazol-3-YL hydrosulfide (CAS 676537-60-3) is a chemical compound with molecular formula C22H17FN4OS and molecular weight 404.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-fluorophenyl)-4-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: 4-((3-(Benzyloxy)benzylidene)amino)-3-(2-fluorophenyl)-1H-1,2,4-triazole-5(4H)-thione, (E)-4-((3-(benzyloxy)benzylidene)amino)-5-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol, 4-((3-(Benzyloxy)benzylidene)amino)-5-(2-F-PH)4H-1,2,4-triazol-3-YL hydrosulfide, 4-({(E)-[3-(benzyloxy)phenyl]methylidene}amino)-5-(2-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 4-({(E)-[3-(benzyloxy)phenyl]methylidene}amino)-5-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C22H17FN4OS |
|---|---|
| Molecular Weight | 404.11 g/mol |
| LogP | 5.20799 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 404.11072 |
| Heavy Atoms | 29 |
| Complexity | 1200.6752 |
Chemical Identifiers
| CAS Number | 676537-60-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=CC=CC(=C2)/C=N/N3C(=NNC3=S)C4=CC=CC=C4F |
Product Overview
4-((3-(Benzyloxy)benzylidene)amino)-5-(2-F-PH)4H-1,2,4-triazol-3-YL hydrosulfide (CAS 676537-60-3), with molecular formula C22H17FN4OS and molecular weight 404.11 g/mol. IUPAC: 3-(2-fluorophenyl)-4-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-((3-(Benzyloxy)benzylidene)amino)-5-(2-F-PH)4H-1,2,4-triazol-3-YL hydrosulfide
Property Insights of 4-((3-(Benzyloxy)benzylidene)amino)-5-(2-F-PH)4H-1,2,4-triazol-3-YL hydrosulfide
The XLogP value of 5.20799 indicates that 4-((3-(Benzyloxy)benzylidene)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. With a topological polar surface area (TPSA) of 55.2 Ų, 4-((3-(Benzyloxy)benzylidene)amino)-5-(2-F-PH)4H-1,2,4-triazol-3-YL hydrosulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((3-(Benzyloxy)benzylidene)amino)-5-(2-F-PH)4H-1,2,4-triazol-3-YL hydrosulfide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-((3-(Benzyloxy)benzylidene)amino)-5-(2-F-PH)4H-1,2,4-triazol-3-YL hydrosulfide?
The CAS number of 4-((3-(Benzyloxy)benzylidene)amino)-5-(2-F-PH)4H-1,2,4-triazol-3-YL hydrosulfide is 676537-60-3.
What is the molecular formula of 4-((3-(Benzyloxy)benzylidene)amino)-5-(2-F-PH)4H-1,2,4-triazol-3-YL hydrosulfide?
The molecular formula of 4-((3-(Benzyloxy)benzylidene)amino)-5-(2-F-PH)4H-1,2,4-triazol-3-YL hydrosulfide is C22H17FN4OS.
What is the molecular weight of 4-((3-(Benzyloxy)benzylidene)amino)-5-(2-F-PH)4H-1,2,4-triazol-3-YL hydrosulfide?
The molecular weight of 4-((3-(Benzyloxy)benzylidene)amino)-5-(2-F-PH)4H-1,2,4-triazol-3-YL hydrosulfide is 404.11 g/mol.
Where can I buy 4-((3-(Benzyloxy)benzylidene)amino)-5-(2-F-PH)4H-1,2,4-triazol-3-YL hydrosulfide?
You can request a quote for 4-((3-(Benzyloxy)benzylidene)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-((3-(Benzyloxy)benzylidene)amino)-5-(2-F-PH)4H-1,2,4-triazol-3-YL hydrosulfide?
Yes, KEHONG BIO provides custom synthesis services for 4-((3-(Benzyloxy)benzylidene)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.