(E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol
TL;DR: (E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol (CAS 488100-12-5) is a chemical compound with molecular formula C24H22N4O3S and molecular weight 446.14 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-(phenoxymethyl)-1H-1,2,4-triazole-5-thione
Also Known As: (E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol, 4-({(E)-[4-(benzyloxy)-3-methoxyphenyl]methylidene}amino)-5-(phenoxymethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 4-({(E)-[4-(benzyloxy)-3-methoxyphenyl]methylidene}amino)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol, 4-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione, 4-{(1E)-2-[3-methoxy-4-(phenylmethoxy)phenyl]-1-azavinyl}-5-(phenoxymethyl)-1, 2,4-triazole-3-thiol
| Molecular Formula | C24H22N4O3S |
|---|---|
| Molecular Weight | 446.14 g/mol |
| LogP | 4.98949 |
| Topological Polar Surface Area | 73.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 446.14127 |
| Heavy Atoms | 32 |
| Complexity | 1237.1013 |
Chemical Identifiers
| CAS Number | 488100-12-5 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=N/N2C(=NNC2=S)COC3=CC=CC=C3)OCC4=CC=CC=C4 |
Product Overview
(E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol (CAS 488100-12-5), with molecular formula C24H22N4O3S and molecular weight 446.14 g/mol. IUPAC: 4-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of (E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol
Property Insights of (E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.98949 indicates that (E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol 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 (E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, (E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol 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 (E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of (E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol is 488100-12-5.
What is the molecular formula of (E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of (E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol is C24H22N4O3S.
What is the molecular weight of (E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of (E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol is 446.14 g/mol.
Where can I buy (E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for (E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(phenoxymethyl)-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-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.