5-(4-F-PH)-4-((3-(2-Furyl)-2-ME-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(4-F-PH)-4-((3-(2-Furyl)-2-ME-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol (CAS 676589-26-7) is a chemical compound with molecular formula C16H13FN4OS and molecular weight 328.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-fluorophenyl)-4-[(E)-[(Z)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione
Also Known As: 5-(4-F-PH)-4-((3-(2-FURYL)-2-ME-2-PROPENYLIDENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL, 3-(4-Fluorophenyl)-4-((3-(furan-2-yl)-2-methylallylidene)amino)-1H-1,2,4-triazole-5(4H)-thione, 3-(4-fluorophenyl)-4-[(E)-[(Z)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione, 4-((3Z,1E)-4-(2-furyl)-3-methyl-1-azabuta-1,3-dienyl)-5-(4-fluorophenyl)-1,2,4 -triazole-3-thiol, 5-(4-fluorophenyl)-4-((E)-((Z)-3-(furan-2-yl)-2-methylallylidene)amino)-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C16H13FN4OS |
|---|---|
| Molecular Weight | 328.08 g/mol |
| LogP | 4.27719 |
| Topological Polar Surface Area | 59.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.0794 |
| Heavy Atoms | 23 |
| Complexity | 904.46576 |
Chemical Identifiers
| CAS Number | 676589-26-7 |
|---|---|
| SMILES | C/C(=C/C1=CC=CO1)/C=N/N2C(=NNC2=S)C3=CC=C(C=C3)F |
Product Overview
5-(4-F-PH)-4-((3-(2-Furyl)-2-ME-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol (CAS 676589-26-7), with molecular formula C16H13FN4OS and molecular weight 328.08 g/mol. IUPAC: 3-(4-fluorophenyl)-4-[(E)-[(Z)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(4-F-PH)-4-((3-(2-Furyl)-2-ME-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(4-F-PH)-4-((3-(2-Furyl)-2-ME-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.27719 indicates that 5-(4-F-PH)-4-((3-(2-Furyl)-2-ME-2-propenylidene)amino)-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 59.11 Ų, 5-(4-F-PH)-4-((3-(2-Furyl)-2-ME-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-F-PH)-4-((3-(2-Furyl)-2-ME-2-propenylidene)amino)-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 5-(4-F-PH)-4-((3-(2-Furyl)-2-ME-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(4-F-PH)-4-((3-(2-Furyl)-2-ME-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol is 676589-26-7.
What is the molecular formula of 5-(4-F-PH)-4-((3-(2-Furyl)-2-ME-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(4-F-PH)-4-((3-(2-Furyl)-2-ME-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol is C16H13FN4OS.
What is the molecular weight of 5-(4-F-PH)-4-((3-(2-Furyl)-2-ME-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(4-F-PH)-4-((3-(2-Furyl)-2-ME-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol is 328.08 g/mol.
Where can I buy 5-(4-F-PH)-4-((3-(2-Furyl)-2-ME-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(4-F-PH)-4-((3-(2-Furyl)-2-ME-2-propenylidene)amino)-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 5-(4-F-PH)-4-((3-(2-Furyl)-2-ME-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-F-PH)-4-((3-(2-Furyl)-2-ME-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.