5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol (CAS 494747-60-3) is a chemical compound with molecular formula C14H14BrN5S and molecular weight 363.02 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-(4-methylphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol, 3-(4-bromo-1,5-dimethylpyrazol-3-yl)-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione, 5-(4-bromo-1,5-dimethyl-pyrazol-3-yl)-4-(4-methylphenyl)-2H-1,2,4-triazole-3-thione
| Molecular Formula | C14H14BrN5S |
|---|---|
| Molecular Weight | 363.02 g/mol |
| LogP | 3.70973 |
| Topological Polar Surface Area | 51.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 363.01532 |
| Heavy Atoms | 21 |
| Complexity | 856.6145 |
Chemical Identifiers
| CAS Number | 494747-60-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NNC2=S)C3=NN(C(=C3Br)C)C |
Product Overview
5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol (CAS 494747-60-3), with molecular formula C14H14BrN5S and molecular weight 363.02 g/mol. IUPAC: 3-(4-bromo-1,5-dimethylpyrazol-3-yl)-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.70973 indicates that 5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-methylphenyl)-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 51.43 Ų, 5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-methylphenyl)-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-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-methylphenyl)-4H-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 5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol is 494747-60-3.
What is the molecular formula of 5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol is C14H14BrN5S.
What is the molecular weight of 5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol is 363.02 g/mol.
Where can I buy 5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-methylphenyl)-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-(4-methylphenyl)-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-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.