4-((1E,3E)-3-methyl-4-phenyl-1-azabuta-1,3-dienyl)-5-(3,4,5-trimethoxyphenyl)- 1,2,4-triazole-3-thiol
TL;DR: 4-((1E,3E)-3-methyl-4-phenyl-1-azabuta-1,3-dienyl)-5-(3,4,5-trimethoxyphenyl)- 1,2,4-triazole-3-thiol (CAS 498538-45-7) is a chemical compound with molecular formula C21H22N4O3S and molecular weight 410.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-((1E,3E)-3-methyl-4-phenyl-1-azabuta-1,3-dienyl)-5-(3,4,5-trimethoxyphenyl)- 1,2,4-triazole-3-thiol, 4-((E)-((E)-2-methyl-3-phenylallylidene)amino)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol, 4-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione, 4-{[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]amino}-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 4-{[(E,2E)-2-METHYL-3-PHENYL-2-PROPENYLIDENE]AMINO}-5-(3,4,5-TRIMETHOXYPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL
| Molecular Formula | C21H22N4O3S |
|---|---|
| Molecular Weight | 410.14 g/mol |
| LogP | 4.57089 |
| Topological Polar Surface Area | 73.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 410.14127 |
| Heavy Atoms | 29 |
| Complexity | 1075.6091 |
Chemical Identifiers
| CAS Number | 498538-45-7 |
|---|---|
| SMILES | C/C(=C\C1=CC=CC=C1)/C=N/N2C(=NNC2=S)C3=CC(=C(C(=C3)OC)OC)OC |
Product Overview
4-((1E,3E)-3-methyl-4-phenyl-1-azabuta-1,3-dienyl)-5-(3,4,5-trimethoxyphenyl)- 1,2,4-triazole-3-thiol (CAS 498538-45-7), with molecular formula C21H22N4O3S and molecular weight 410.14 g/mol. IUPAC: 4-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-((1E,3E)-3-methyl-4-phenyl-1-azabuta-1,3-dienyl)-5-(3,4,5-trimethoxyphenyl)- 1,2,4-triazole-3-thiol
Property Insights of 4-((1E,3E)-3-methyl-4-phenyl-1-azabuta-1,3-dienyl)-5-(3,4,5-trimethoxyphenyl)- 1,2,4-triazole-3-thiol
The XLogP value of 4.57089 indicates that 4-((1E,3E)-3-methyl-4-phenyl-1-azabuta-1,3-dienyl)-5-(3,4,5-trimethoxyphenyl)- 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 4-((1E,3E)-3-methyl-4-phenyl-1-azabuta-1,3-dienyl)-5-(3,4,5-trimethoxyphenyl)- 1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-((1E,3E)-3-methyl-4-phenyl-1-azabuta-1,3-dienyl)-5-(3,4,5-trimethoxyphenyl)- 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 4-((1E,3E)-3-methyl-4-phenyl-1-azabuta-1,3-dienyl)-5-(3,4,5-trimethoxyphenyl)- 1,2,4-triazole-3-thiol?
The CAS number of 4-((1E,3E)-3-methyl-4-phenyl-1-azabuta-1,3-dienyl)-5-(3,4,5-trimethoxyphenyl)- 1,2,4-triazole-3-thiol is 498538-45-7.
What is the molecular formula of 4-((1E,3E)-3-methyl-4-phenyl-1-azabuta-1,3-dienyl)-5-(3,4,5-trimethoxyphenyl)- 1,2,4-triazole-3-thiol?
The molecular formula of 4-((1E,3E)-3-methyl-4-phenyl-1-azabuta-1,3-dienyl)-5-(3,4,5-trimethoxyphenyl)- 1,2,4-triazole-3-thiol is C21H22N4O3S.
What is the molecular weight of 4-((1E,3E)-3-methyl-4-phenyl-1-azabuta-1,3-dienyl)-5-(3,4,5-trimethoxyphenyl)- 1,2,4-triazole-3-thiol?
The molecular weight of 4-((1E,3E)-3-methyl-4-phenyl-1-azabuta-1,3-dienyl)-5-(3,4,5-trimethoxyphenyl)- 1,2,4-triazole-3-thiol is 410.14 g/mol.
Where can I buy 4-((1E,3E)-3-methyl-4-phenyl-1-azabuta-1,3-dienyl)-5-(3,4,5-trimethoxyphenyl)- 1,2,4-triazole-3-thiol?
You can request a quote for 4-((1E,3E)-3-methyl-4-phenyl-1-azabuta-1,3-dienyl)-5-(3,4,5-trimethoxyphenyl)- 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 4-((1E,3E)-3-methyl-4-phenyl-1-azabuta-1,3-dienyl)-5-(3,4,5-trimethoxyphenyl)- 1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-((1E,3E)-3-methyl-4-phenyl-1-azabuta-1,3-dienyl)-5-(3,4,5-trimethoxyphenyl)- 1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.