4-((3-(Benzyloxy)benzylidene)amino)5-(2-furyl)4H-1,2,4-triazol-3-YL hydrosulfide
TL;DR: 4-((3-(Benzyloxy)benzylidene)amino)5-(2-furyl)4H-1,2,4-triazol-3-YL hydrosulfide (CAS 488109-80-4) is a chemical compound with molecular formula C20H16N4O2S and molecular weight 376.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(furan-2-yl)-4-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: (E)-4-((3-(benzyloxy)benzylidene)amino)-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol, 4-((3-(BENZYLOXY)BENZYLIDENE)AMINO)5-(2-FURYL)4H-1,2,4-TRIAZOL-3-YL HYDROSULFIDE, 4-{(1E)-2-[3-(phenylmethoxy)phenyl]-1-azavinyl}-5-(2-furyl)-1,2,4-triazole-3-t hiol, 3-(furan-2-yl)-4-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione, 4-({(E)-[3-(benzyloxy)phenyl]methylidene}amino)-5-(furan-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C20H16N4O2S |
|---|---|
| Molecular Weight | 376.10 g/mol |
| LogP | 4.66189 |
| Topological Polar Surface Area | 68.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 376.0994 |
| Heavy Atoms | 27 |
| Complexity | 1098.4844 |
Chemical Identifiers
| CAS Number | 488109-80-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=CC=CC(=C2)/C=N/N3C(=NNC3=S)C4=CC=CO4 |
Product Overview
4-((3-(Benzyloxy)benzylidene)amino)5-(2-furyl)4H-1,2,4-triazol-3-YL hydrosulfide (CAS 488109-80-4), with molecular formula C20H16N4O2S and molecular weight 376.10 g/mol. IUPAC: 3-(furan-2-yl)-4-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-((3-(Benzyloxy)benzylidene)amino)5-(2-furyl)4H-1,2,4-triazol-3-YL hydrosulfide
Property Insights of 4-((3-(Benzyloxy)benzylidene)amino)5-(2-furyl)4H-1,2,4-triazol-3-YL hydrosulfide
The XLogP value of 4.66189 indicates that 4-((3-(Benzyloxy)benzylidene)amino)5-(2-furyl)4H-1,2,4-triazol-3-YL hydrosulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((3-(Benzyloxy)benzylidene)amino)5-(2-furyl)4H-1,2,4-triazol-3-YL hydrosulfide. Following Lipinski's Rule of Five, 4-((3-(Benzyloxy)benzylidene)amino)5-(2-furyl)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-((3-(Benzyloxy)benzylidene)amino)5-(2-furyl)4H-1,2,4-triazol-3-YL hydrosulfide?
The CAS number of 4-((3-(Benzyloxy)benzylidene)amino)5-(2-furyl)4H-1,2,4-triazol-3-YL hydrosulfide is 488109-80-4.
What is the molecular formula of 4-((3-(Benzyloxy)benzylidene)amino)5-(2-furyl)4H-1,2,4-triazol-3-YL hydrosulfide?
The molecular formula of 4-((3-(Benzyloxy)benzylidene)amino)5-(2-furyl)4H-1,2,4-triazol-3-YL hydrosulfide is C20H16N4O2S.
What is the molecular weight of 4-((3-(Benzyloxy)benzylidene)amino)5-(2-furyl)4H-1,2,4-triazol-3-YL hydrosulfide?
The molecular weight of 4-((3-(Benzyloxy)benzylidene)amino)5-(2-furyl)4H-1,2,4-triazol-3-YL hydrosulfide is 376.10 g/mol.
Where can I buy 4-((3-(Benzyloxy)benzylidene)amino)5-(2-furyl)4H-1,2,4-triazol-3-YL hydrosulfide?
You can request a quote for 4-((3-(Benzyloxy)benzylidene)amino)5-(2-furyl)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-furyl)4H-1,2,4-triazol-3-YL hydrosulfide?
Yes, KEHONG BIO provides custom synthesis services for 4-((3-(Benzyloxy)benzylidene)amino)5-(2-furyl)4H-1,2,4-triazol-3-YL hydrosulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.