(E)-4-((3-(benzyloxy)benzylidene)amino)-5-(pyridin-2-yl)-4H-1,2,4-triazole-3-thiol
TL;DR: (E)-4-((3-(benzyloxy)benzylidene)amino)-5-(pyridin-2-yl)-4H-1,2,4-triazole-3-thiol (CAS 613248-19-4) is a chemical compound with molecular formula C21H17N5OS and molecular weight 387.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione
Also Known As: (E)-4-((3-(benzyloxy)benzylidene)amino)-5-(pyridin-2-yl)-4H-1,2,4-triazole-3-thiol, 4-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione, 4-{(1E)-2-[3-(phenylmethoxy)phenyl]-1-azavinyl}-5-(2-pyridyl)-1,2,4-triazole-3 -thiol, 4-({(E)-[3-(BENZYLOXY)PHENYL]METHYLIDENE}AMINO)-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOLE-3-THIOL, 4-({(E)-[3-(benzyloxy)phenyl]methylidene}amino)-5-(pyridin-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C21H17N5OS |
|---|---|
| Molecular Weight | 387.12 g/mol |
| LogP | 4.46389 |
| Topological Polar Surface Area | 68.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 387.1154 |
| Heavy Atoms | 28 |
| Complexity | 1136.1919 |
Chemical Identifiers
| CAS Number | 613248-19-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=CC=CC(=C2)/C=N/N3C(=NNC3=S)C4=CC=CC=N4 |
Product Overview
(E)-4-((3-(benzyloxy)benzylidene)amino)-5-(pyridin-2-yl)-4H-1,2,4-triazole-3-thiol (CAS 613248-19-4), with molecular formula C21H17N5OS and molecular weight 387.12 g/mol. IUPAC: 4-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of (E)-4-((3-(benzyloxy)benzylidene)amino)-5-(pyridin-2-yl)-4H-1,2,4-triazole-3-thiol
Property Insights of (E)-4-((3-(benzyloxy)benzylidene)amino)-5-(pyridin-2-yl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.46389 indicates that (E)-4-((3-(benzyloxy)benzylidene)amino)-5-(pyridin-2-yl)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.09 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-((3-(benzyloxy)benzylidene)amino)-5-(pyridin-2-yl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, (E)-4-((3-(benzyloxy)benzylidene)amino)-5-(pyridin-2-yl)-4H-1,2,4-triazole-3-thiol 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 (E)-4-((3-(benzyloxy)benzylidene)amino)-5-(pyridin-2-yl)-4H-1,2,4-triazole-3-thiol?
The CAS number of (E)-4-((3-(benzyloxy)benzylidene)amino)-5-(pyridin-2-yl)-4H-1,2,4-triazole-3-thiol is 613248-19-4.
What is the molecular formula of (E)-4-((3-(benzyloxy)benzylidene)amino)-5-(pyridin-2-yl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of (E)-4-((3-(benzyloxy)benzylidene)amino)-5-(pyridin-2-yl)-4H-1,2,4-triazole-3-thiol is C21H17N5OS.
What is the molecular weight of (E)-4-((3-(benzyloxy)benzylidene)amino)-5-(pyridin-2-yl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of (E)-4-((3-(benzyloxy)benzylidene)amino)-5-(pyridin-2-yl)-4H-1,2,4-triazole-3-thiol is 387.12 g/mol.
Where can I buy (E)-4-((3-(benzyloxy)benzylidene)amino)-5-(pyridin-2-yl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for (E)-4-((3-(benzyloxy)benzylidene)amino)-5-(pyridin-2-yl)-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-(benzyloxy)benzylidene)amino)-5-(pyridin-2-yl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-((3-(benzyloxy)benzylidene)amino)-5-(pyridin-2-yl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.