4-((E)-((E)-3-(2-methoxyphenyl)allylidene)amino)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-((E)-((E)-3-(2-methoxyphenyl)allylidene)amino)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol (CAS 488841-87-8) is a chemical compound with molecular formula C21H22N4O4S and molecular weight 426.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-((E)-((E)-3-(2-methoxyphenyl)allylidene)amino)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol, 4-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione, 4-[3-(2-methoxyphenyl)prop-2-enylideneamino]-5-(3,4,5-trimethoxyphenyl)-2H-1,2,4-triazole-3-thione, 4-{[(1E,2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]amino}-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 4-{[(E,2E)-3-(2-METHOXYPHENYL)-2-PROPENYLIDENE]AMINO}-5-(3,4,5-TRIMETHOXYPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL
| Molecular Formula | C21H22N4O4S |
|---|---|
| Molecular Weight | 426.14 g/mol |
| LogP | 4.18939 |
| Topological Polar Surface Area | 82.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 426.13617 |
| Heavy Atoms | 30 |
| Complexity | 1109.0253 |
Chemical Identifiers
| CAS Number | 488841-87-8 |
|---|---|
| SMILES | COC1=CC=CC=C1/C=C/C=N/N2C(=NNC2=S)C3=CC(=C(C(=C3)OC)OC)OC |
Product Overview
4-((E)-((E)-3-(2-methoxyphenyl)allylidene)amino)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol (CAS 488841-87-8), with molecular formula C21H22N4O4S and molecular weight 426.14 g/mol. IUPAC: 4-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-((E)-((E)-3-(2-methoxyphenyl)allylidene)amino)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-((E)-((E)-3-(2-methoxyphenyl)allylidene)amino)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.18939 indicates that 4-((E)-((E)-3-(2-methoxyphenyl)allylidene)amino)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((E)-((E)-3-(2-methoxyphenyl)allylidene)amino)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-((E)-((E)-3-(2-methoxyphenyl)allylidene)amino)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 7 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-((E)-((E)-3-(2-methoxyphenyl)allylidene)amino)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-((E)-((E)-3-(2-methoxyphenyl)allylidene)amino)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol is 488841-87-8.
What is the molecular formula of 4-((E)-((E)-3-(2-methoxyphenyl)allylidene)amino)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-((E)-((E)-3-(2-methoxyphenyl)allylidene)amino)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol is C21H22N4O4S.
What is the molecular weight of 4-((E)-((E)-3-(2-methoxyphenyl)allylidene)amino)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-((E)-((E)-3-(2-methoxyphenyl)allylidene)amino)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol is 426.14 g/mol.
Where can I buy 4-((E)-((E)-3-(2-methoxyphenyl)allylidene)amino)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-((E)-((E)-3-(2-methoxyphenyl)allylidene)amino)-5-(3,4,5-trimethoxyphenyl)-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 4-((E)-((E)-3-(2-methoxyphenyl)allylidene)amino)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-((E)-((E)-3-(2-methoxyphenyl)allylidene)amino)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.