4-((1E,3E)-4-(2-furyl)-1-azabuta-1,3-dienyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4- triazole-3-thiol
TL;DR: 4-((1E,3E)-4-(2-furyl)-1-azabuta-1,3-dienyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4- triazole-3-thiol (CAS 497941-93-2) is a chemical compound with molecular formula C18H18N4O4S and molecular weight 386.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-((1E,3E)-4-(2-furyl)-1-azabuta-1,3-dienyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4- triazole-3-thiol, 4-((E)-((E)-3-(furan-2-yl)allylidene)amino)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol, 4-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione, 4-{[(1E,2E)-3-(furan-2-yl)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-FURYL)-2-PROPENYLIDENE]AMINO}-5-(3,4,5-TRIMETHOXYPHENYL)-4H-1,2,4-TRIAZOL-3-YL HYDROSULFIDE
| Molecular Formula | C18H18N4O4S |
|---|---|
| Molecular Weight | 386.10 g/mol |
| LogP | 3.77379 |
| Topological Polar Surface Area | 86.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 386.1049 |
| Heavy Atoms | 27 |
| Complexity | 993.4088 |
Chemical Identifiers
| CAS Number | 497941-93-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2=NNC(=S)N2/N=C/C=C/C3=CC=CO3 |
Product Overview
4-((1E,3E)-4-(2-furyl)-1-azabuta-1,3-dienyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4- triazole-3-thiol (CAS 497941-93-2), with molecular formula C18H18N4O4S and molecular weight 386.10 g/mol. IUPAC: 4-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-((1E,3E)-4-(2-furyl)-1-azabuta-1,3-dienyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4- triazole-3-thiol
Property Insights of 4-((1E,3E)-4-(2-furyl)-1-azabuta-1,3-dienyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4- triazole-3-thiol
The XLogP value of 3.77379 indicates that 4-((1E,3E)-4-(2-furyl)-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 86.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((1E,3E)-4-(2-furyl)-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)-4-(2-furyl)-1-azabuta-1,3-dienyl)-5-(3,4,5-trimethoxyphenyl)-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-((1E,3E)-4-(2-furyl)-1-azabuta-1,3-dienyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4- triazole-3-thiol?
The CAS number of 4-((1E,3E)-4-(2-furyl)-1-azabuta-1,3-dienyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4- triazole-3-thiol is 497941-93-2.
What is the molecular formula of 4-((1E,3E)-4-(2-furyl)-1-azabuta-1,3-dienyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4- triazole-3-thiol?
The molecular formula of 4-((1E,3E)-4-(2-furyl)-1-azabuta-1,3-dienyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4- triazole-3-thiol is C18H18N4O4S.
What is the molecular weight of 4-((1E,3E)-4-(2-furyl)-1-azabuta-1,3-dienyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4- triazole-3-thiol?
The molecular weight of 4-((1E,3E)-4-(2-furyl)-1-azabuta-1,3-dienyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4- triazole-3-thiol is 386.10 g/mol.
Where can I buy 4-((1E,3E)-4-(2-furyl)-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)-4-(2-furyl)-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)-4-(2-furyl)-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)-4-(2-furyl)-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.