4-((1E,3E)-4-phenyl-1-azabuta-1,3-dienyl)-5-(2-fluorophenyl)-1,2,4-triazole-3- thiol
TL;DR: 4-((1E,3E)-4-phenyl-1-azabuta-1,3-dienyl)-5-(2-fluorophenyl)-1,2,4-triazole-3- thiol (CAS 675843-87-5) is a chemical compound with molecular formula C17H13FN4S and molecular weight 324.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-fluorophenyl)-4-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione
Also Known As: 4-((1E,3E)-4-phenyl-1-azabuta-1,3-dienyl)-5-(2-fluorophenyl)-1,2,4-triazole-3- thiol, 5-(2-fluorophenyl)-4-((E)-((E)-3-phenylallylidene)amino)-4H-1,2,4-triazole-3-thiol, 3-(2-fluorophenyl)-4-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione, 5-(2-fluorophenyl)-4-{[(1E,2E)-3-phenylprop-2-en-1-ylidene]amino}-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C17H13FN4S |
|---|---|
| Molecular Weight | 324.08 g/mol |
| LogP | 4.29409 |
| Topological Polar Surface Area | 45.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.0845 |
| Heavy Atoms | 23 |
| Complexity | 909.5977 |
Chemical Identifiers
| CAS Number | 675843-87-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/C=N/N2C(=NNC2=S)C3=CC=CC=C3F |
Product Overview
4-((1E,3E)-4-phenyl-1-azabuta-1,3-dienyl)-5-(2-fluorophenyl)-1,2,4-triazole-3- thiol (CAS 675843-87-5), with molecular formula C17H13FN4S and molecular weight 324.08 g/mol. IUPAC: 3-(2-fluorophenyl)-4-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-((1E,3E)-4-phenyl-1-azabuta-1,3-dienyl)-5-(2-fluorophenyl)-1,2,4-triazole-3- thiol
Property Insights of 4-((1E,3E)-4-phenyl-1-azabuta-1,3-dienyl)-5-(2-fluorophenyl)-1,2,4-triazole-3- thiol
The XLogP value of 4.29409 indicates that 4-((1E,3E)-4-phenyl-1-azabuta-1,3-dienyl)-5-(2-fluorophenyl)-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 45.97 Ų, 4-((1E,3E)-4-phenyl-1-azabuta-1,3-dienyl)-5-(2-fluorophenyl)-1,2,4-triazole-3- thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((1E,3E)-4-phenyl-1-azabuta-1,3-dienyl)-5-(2-fluorophenyl)-1,2,4-triazole-3- thiol has 1 hydrogen bond donor(s) and 3 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-phenyl-1-azabuta-1,3-dienyl)-5-(2-fluorophenyl)-1,2,4-triazole-3- thiol?
The CAS number of 4-((1E,3E)-4-phenyl-1-azabuta-1,3-dienyl)-5-(2-fluorophenyl)-1,2,4-triazole-3- thiol is 675843-87-5.
What is the molecular formula of 4-((1E,3E)-4-phenyl-1-azabuta-1,3-dienyl)-5-(2-fluorophenyl)-1,2,4-triazole-3- thiol?
The molecular formula of 4-((1E,3E)-4-phenyl-1-azabuta-1,3-dienyl)-5-(2-fluorophenyl)-1,2,4-triazole-3- thiol is C17H13FN4S.
What is the molecular weight of 4-((1E,3E)-4-phenyl-1-azabuta-1,3-dienyl)-5-(2-fluorophenyl)-1,2,4-triazole-3- thiol?
The molecular weight of 4-((1E,3E)-4-phenyl-1-azabuta-1,3-dienyl)-5-(2-fluorophenyl)-1,2,4-triazole-3- thiol is 324.08 g/mol.
Where can I buy 4-((1E,3E)-4-phenyl-1-azabuta-1,3-dienyl)-5-(2-fluorophenyl)-1,2,4-triazole-3- thiol?
You can request a quote for 4-((1E,3E)-4-phenyl-1-azabuta-1,3-dienyl)-5-(2-fluorophenyl)-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-phenyl-1-azabuta-1,3-dienyl)-5-(2-fluorophenyl)-1,2,4-triazole-3- thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-((1E,3E)-4-phenyl-1-azabuta-1,3-dienyl)-5-(2-fluorophenyl)-1,2,4-triazole-3- thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.