![4-[(E)-3-Phenyl-prop-2-en-(E)-ylideneamino]-5-pyridin-3-yl-4H-[1,2,4]triazole-3-thiol structure](/static/products/898/89814-03-9.png)
4-[(E)-3-Phenyl-prop-2-en-(E)-ylideneamino]-5-pyridin-3-yl-4H-[1,2,4]triazole-3-thiol
TL;DR: 4-[(E)-3-Phenyl-prop-2-en-(E)-ylideneamino]-5-pyridin-3-yl-4H-[1,2,4]triazole-3-thiol (CAS 89814-03-9) is a chemical compound with molecular formula C16H13N5S and molecular weight 307.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione
Also Known As: 4-[(E)-3-Phenyl-prop-2-en-(E)-ylideneamino]-5-pyridin-3-yl-4H-[1,2,4]triazole-3-thiol, 4-((1E,3E)-4-phenyl-1-azabuta-1,3-dienyl)-5-(3-pyridyl)-1,2,4-triazole-3-thiol, 4-((3-PH-2-PROPENYLIDENE)AMINO)5-(3-PYRIDINYL)4H-1,2,4-TRIAZOL-3-YL HYDROSULFIDE, 4-((E)-((E)-3-phenylallylidene)amino)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol, 4-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione
| Molecular Formula | C16H13N5S |
|---|---|
| Molecular Weight | 307.09 g/mol |
| LogP | 3.54999 |
| Topological Polar Surface Area | 58.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.08917 |
| Heavy Atoms | 22 |
| Complexity | 847.0025 |
Chemical Identifiers
| CAS Number | 89814-03-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/C=N/N2C(=NNC2=S)C3=CN=CC=C3 |
Product Overview
4-[(E)-3-Phenyl-prop-2-en-(E)-ylideneamino]-5-pyridin-3-yl-4H-[1,2,4]triazole-3-thiol (CAS 89814-03-9), with molecular formula C16H13N5S and molecular weight 307.09 g/mol. IUPAC: 4-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-[(E)-3-Phenyl-prop-2-en-(E)-ylideneamino]-5-pyridin-3-yl-4H-[1,2,4]triazole-3-thiol
Property Insights of 4-[(E)-3-Phenyl-prop-2-en-(E)-ylideneamino]-5-pyridin-3-yl-4H-[1,2,4]triazole-3-thiol
The XLogP value of 3.54999 indicates that 4-[(E)-3-Phenyl-prop-2-en-(E)-ylideneamino]-5-pyridin-3-yl-4H-[1,2,4]triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.86 Ų, 4-[(E)-3-Phenyl-prop-2-en-(E)-ylideneamino]-5-pyridin-3-yl-4H-[1,2,4]triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(E)-3-Phenyl-prop-2-en-(E)-ylideneamino]-5-pyridin-3-yl-4H-[1,2,4]triazole-3-thiol has 1 hydrogen bond donor(s) and 4 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)-3-Phenyl-prop-2-en-(E)-ylideneamino]-5-pyridin-3-yl-4H-[1,2,4]triazole-3-thiol?
The CAS number of 4-[(E)-3-Phenyl-prop-2-en-(E)-ylideneamino]-5-pyridin-3-yl-4H-[1,2,4]triazole-3-thiol is 89814-03-9.
What is the molecular formula of 4-[(E)-3-Phenyl-prop-2-en-(E)-ylideneamino]-5-pyridin-3-yl-4H-[1,2,4]triazole-3-thiol?
The molecular formula of 4-[(E)-3-Phenyl-prop-2-en-(E)-ylideneamino]-5-pyridin-3-yl-4H-[1,2,4]triazole-3-thiol is C16H13N5S.
What is the molecular weight of 4-[(E)-3-Phenyl-prop-2-en-(E)-ylideneamino]-5-pyridin-3-yl-4H-[1,2,4]triazole-3-thiol?
The molecular weight of 4-[(E)-3-Phenyl-prop-2-en-(E)-ylideneamino]-5-pyridin-3-yl-4H-[1,2,4]triazole-3-thiol is 307.09 g/mol.
Where can I buy 4-[(E)-3-Phenyl-prop-2-en-(E)-ylideneamino]-5-pyridin-3-yl-4H-[1,2,4]triazole-3-thiol?
You can request a quote for 4-[(E)-3-Phenyl-prop-2-en-(E)-ylideneamino]-5-pyridin-3-yl-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)-3-Phenyl-prop-2-en-(E)-ylideneamino]-5-pyridin-3-yl-4H-[1,2,4]triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-[(E)-3-Phenyl-prop-2-en-(E)-ylideneamino]-5-pyridin-3-yl-4H-[1,2,4]triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.