4-(2,5-dimethoxyphenyl)-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione
TL;DR: 4-(2,5-dimethoxyphenyl)-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione (CAS 879462-48-3) is a chemical compound with molecular formula C13H13N5O2S and molecular weight 303.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,5-dimethoxyphenyl)-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-(2,5-dimethoxyphenyl)-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione, A3475/0147376, 4-(2,5-dimethoxyphenyl)-5-(1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol, 4-(2,5-dimethoxyphenyl)-5-(1H-pyrazol-5-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 4-(2,5-Dimethoxy-phenyl)-5-(2H-pyrazol-3-yl)-4H-[1,2,4]triazole-3-thiol
| Molecular Formula | C13H13N5O2S |
|---|---|
| Molecular Weight | 303.08 g/mol |
| LogP | 2.33719 |
| Topological Polar Surface Area | 80.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 303.079 |
| Heavy Atoms | 21 |
| Complexity | 806.3335 |
Chemical Identifiers
| CAS Number | 879462-48-3 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)N2C(=NNC2=S)C3=CC=NN3 |
Product Overview
4-(2,5-dimethoxyphenyl)-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione (CAS 879462-48-3), with molecular formula C13H13N5O2S and molecular weight 303.08 g/mol. IUPAC: 4-(2,5-dimethoxyphenyl)-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(2,5-dimethoxyphenyl)-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione
Property Insights of 4-(2,5-dimethoxyphenyl)-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione
The XLogP value of 2.33719 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2,5-dimethoxyphenyl)-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione. The TPSA of 80.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2,5-dimethoxyphenyl)-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione. Following Lipinski's Rule of Five, 4-(2,5-dimethoxyphenyl)-3-(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-(2,5-dimethoxyphenyl)-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione?
The CAS number of 4-(2,5-dimethoxyphenyl)-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione is 879462-48-3.
What is the molecular formula of 4-(2,5-dimethoxyphenyl)-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione?
The molecular formula of 4-(2,5-dimethoxyphenyl)-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione is C13H13N5O2S.
What is the molecular weight of 4-(2,5-dimethoxyphenyl)-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione?
The molecular weight of 4-(2,5-dimethoxyphenyl)-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione is 303.08 g/mol.
Where can I buy 4-(2,5-dimethoxyphenyl)-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione?
You can request a quote for 4-(2,5-dimethoxyphenyl)-3-(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-(2,5-dimethoxyphenyl)-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,5-dimethoxyphenyl)-3-(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.