5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazole-3-thiol (CAS 494747-68-1) is a chemical compound with molecular formula C14H14BrN5OS and molecular weight 379.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-bromo-1,5-dimethylpyrazol-3-yl)-4-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazole-3-thiol, 3-(4-bromo-1,5-dimethylpyrazol-3-yl)-4-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione, 5-(4-bromo-1,5-dimethyl-pyrazol-3-yl)-4-(2-methoxyphenyl)-2H-1,2,4-triazole-3-thione, 5-(4-BROMO-1,5-DIMETHYL-1H-PYRAZOL-3-YL)-4-(2-METHOXYPHENYL)-4H-1,2,4-TRIAZOL-3-YLHYDROSULFIDE
| Molecular Formula | C14H14BrN5OS |
|---|---|
| Molecular Weight | 379.01 g/mol |
| LogP | 3.40991 |
| Topological Polar Surface Area | 60.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 379.01025 |
| Heavy Atoms | 22 |
| Complexity | 895.018 |
Chemical Identifiers
| CAS Number | 494747-68-1 |
|---|---|
| SMILES | CC1=C(C(=NN1C)C2=NNC(=S)N2C3=CC=CC=C3OC)Br |
Product Overview
5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazole-3-thiol (CAS 494747-68-1), with molecular formula C14H14BrN5OS and molecular weight 379.01 g/mol. IUPAC: 3-(4-bromo-1,5-dimethylpyrazol-3-yl)-4-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.40991 indicates that 5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-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-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazole-3-thiol is 494747-68-1.
What is the molecular formula of 5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazole-3-thiol is C14H14BrN5OS.
What is the molecular weight of 5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazole-3-thiol is 379.01 g/mol.
Where can I buy 5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-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-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.