(E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
TL;DR: (E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol (CAS 716331-13-4) is a chemical compound with molecular formula C21H20N6O2S and molecular weight 420.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione
Also Known As: (E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol, 4-({(E)-[4-(benzyloxy)-3-methoxyphenyl]methylidene}amino)-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol, 4-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione, 4-{(1E)-2-[3-methoxy-4-(phenylmethoxy)phenyl]-1-azavinyl}-5-(3-methylpyrazol-5 -yl)-1,2,4-triazole-3-thiol
| Molecular Formula | C21H20N6O2S |
|---|---|
| Molecular Weight | 420.14 g/mol |
| LogP | 4.10901 |
| Topological Polar Surface Area | 93.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 420.13684 |
| Heavy Atoms | 30 |
| Complexity | 1225.7849 |
Chemical Identifiers
| CAS Number | 716331-13-4 |
|---|---|
| SMILES | CC1=CC(=NN1)C2=NNC(=S)N2/N=C/C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC |
Product Overview
(E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol (CAS 716331-13-4), with molecular formula C21H20N6O2S and molecular weight 420.14 g/mol. IUPAC: 4-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of (E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
Property Insights of (E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.10901 indicates that (E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.11 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, (E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol has 2 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 (E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol?
The CAS number of (E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol is 716331-13-4.
What is the molecular formula of (E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of (E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol is C21H20N6O2S.
What is the molecular weight of (E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of (E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol is 420.14 g/mol.
Where can I buy (E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for (E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(3-methyl-1H-pyrazol-5-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-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.