![4-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione structure](/static/products/103/1035973-00-2.png)
4-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione
TL;DR: 4-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione (CAS 1035973-00-2) is a chemical compound with molecular formula C21H18N6OS and molecular weight 402.13 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-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione, 4-[(E)-3-(2-Methoxy-phenyl)-prop-2-en-(E)-ylideneamino]-5-(5-phenyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazol e-3-thiol, 4-((E)-((E)-3-(2-methoxyphenyl)allylidene)amino)-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol, 4-[(1E,3E)-4-(2-methoxyphenyl)-1-azabuta-1,3-dienyl]-5-(3-phenylpyrazol-5-yl)- 1,2,4-triazole-3-thiol, 4-{[(1E,2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]amino}-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C21H18N6OS |
|---|---|
| Molecular Weight | 402.13 g/mol |
| LogP | 4.55369 |
| Topological Polar Surface Area | 83.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 402.12628 |
| Heavy Atoms | 29 |
| Complexity | 1219.2145 |
Chemical Identifiers
| CAS Number | 1035973-00-2 |
|---|---|
| SMILES | COC1=CC=CC=C1/C=C/C=N/N2C(=NNC2=S)C3=CC(=NN3)C4=CC=CC=C4 |
Product Overview
4-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione (CAS 1035973-00-2), with molecular formula C21H18N6OS and molecular weight 402.13 g/mol. IUPAC: 4-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione
Property Insights of 4-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione
The XLogP value of 4.55369 indicates that 4-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione. Following Lipinski's Rule of Five, 4-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione has 2 hydrogen bond donor(s) and 5 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)prop-2-enylidene]amino]-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione?
The CAS number of 4-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione is 1035973-00-2.
What is the molecular formula of 4-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione?
The molecular formula of 4-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione is C21H18N6OS.
What is the molecular weight of 4-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione?
The molecular weight of 4-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione is 402.13 g/mol.
Where can I buy 4-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione?
You can request a quote for 4-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione 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)prop-2-enylidene]amino]-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.