![4-(2,5-dimethoxyphenyl)-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazole-3-thiol structure](/static/products/109/1092653-75-2.png)
4-(2,5-dimethoxyphenyl)-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazole-3-thiol
TL;DR: 4-(2,5-dimethoxyphenyl)-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazole-3-thiol (CAS 1092653-75-2) is a chemical compound with molecular formula C19H16FN5O2S and molecular weight 397.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,5-dimethoxyphenyl)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-1,2,4-triazole-5-thione
Also Known As: 4-(2,5-dimethoxyphenyl)-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazole-3-thiol, A3497/0148280, 4-(2,5-dimethoxyphenyl)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-1,2,4-triazole-5-thione, 4-(2,5-dimethoxyphenyl)-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol, 4-(2,5-DIMETHOXYPHENYL)-5-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-5-YL]-4H-1,2,4-TRIAZOL-3-YLHYDROSULFIDE
| Molecular Formula | C19H16FN5O2S |
|---|---|
| Molecular Weight | 397.10 g/mol |
| LogP | 4.14329 |
| Topological Polar Surface Area | 80.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.10086 |
| Heavy Atoms | 28 |
| Complexity | 1179.7598 |
Chemical Identifiers
| CAS Number | 1092653-75-2 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)N2C(=NNC2=S)C3=CC(=NN3)C4=CC=C(C=C4)F |
Product Overview
4-(2,5-dimethoxyphenyl)-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazole-3-thiol (CAS 1092653-75-2), with molecular formula C19H16FN5O2S and molecular weight 397.10 g/mol. IUPAC: 4-(2,5-dimethoxyphenyl)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(2,5-dimethoxyphenyl)-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazole-3-thiol
Property Insights of 4-(2,5-dimethoxyphenyl)-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.14329 indicates that 4-(2,5-dimethoxyphenyl)-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2,5-dimethoxyphenyl)-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-(2,5-dimethoxyphenyl)-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazole-3-thiol 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-(2,5-dimethoxyphenyl)-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-(2,5-dimethoxyphenyl)-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazole-3-thiol is 1092653-75-2.
What is the molecular formula of 4-(2,5-dimethoxyphenyl)-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-(2,5-dimethoxyphenyl)-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazole-3-thiol is C19H16FN5O2S.
What is the molecular weight of 4-(2,5-dimethoxyphenyl)-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-(2,5-dimethoxyphenyl)-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazole-3-thiol is 397.10 g/mol.
Where can I buy 4-(2,5-dimethoxyphenyl)-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-(2,5-dimethoxyphenyl)-5-[3-(4-fluorophenyl)-1H-pyrazol-5-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-(2,5-dimethoxyphenyl)-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,5-dimethoxyphenyl)-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.