![3-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-4-phenyl-1H-1,2,4-triazole-5-thione structure](/static/products/5128/512817-08-2.webp)
3-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-4-phenyl-1H-1,2,4-triazole-5-thione
TL;DR: 3-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-4-phenyl-1H-1,2,4-triazole-5-thione (CAS 512817-08-2) is a chemical compound with molecular formula C15H16BrN5S and molecular weight 377.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-4-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: 3-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-4-phenyl-1H-1,2,4-triazole-5-thione, 5-[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4-phenyl-4H-1,2,4-triazole-3-thiol, 5-[2-(4-BROMO-3,5-DIMETHYL-1H-PYRAZOL-1-YL)ETHYL]-4-PHENYL-4H-1,2,4-TRIAZOL-3-YLHYDROSULFIDE
| Molecular Formula | C15H16BrN5S |
|---|---|
| Molecular Weight | 377.03 g/mol |
| LogP | 3.74843 |
| Topological Polar Surface Area | 51.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 377.03098 |
| Heavy Atoms | 22 |
| Complexity | 846.6926 |
Chemical Identifiers
| CAS Number | 512817-08-2 |
|---|---|
| SMILES | CC1=C(C(=NN1CCC2=NNC(=S)N2C3=CC=CC=C3)C)Br |
Product Overview
3-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-4-phenyl-1H-1,2,4-triazole-5-thione (CAS 512817-08-2), with molecular formula C15H16BrN5S and molecular weight 377.03 g/mol. IUPAC: 3-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-4-phenyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 3-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-4-phenyl-1H-1,2,4-triazole-5-thione
Property Insights of 3-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-4-phenyl-1H-1,2,4-triazole-5-thione
The XLogP value of 3.74843 indicates that 3-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-4-phenyl-1H-1,2,4-triazole-5-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.43 Ų, 3-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-4-phenyl-1H-1,2,4-triazole-5-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-4-phenyl-1H-1,2,4-triazole-5-thione 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 3-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-4-phenyl-1H-1,2,4-triazole-5-thione?
The CAS number of 3-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-4-phenyl-1H-1,2,4-triazole-5-thione is 512817-08-2.
What is the molecular formula of 3-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-4-phenyl-1H-1,2,4-triazole-5-thione?
The molecular formula of 3-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-4-phenyl-1H-1,2,4-triazole-5-thione is C15H16BrN5S.
What is the molecular weight of 3-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-4-phenyl-1H-1,2,4-triazole-5-thione?
The molecular weight of 3-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-4-phenyl-1H-1,2,4-triazole-5-thione is 377.03 g/mol.
Where can I buy 3-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-4-phenyl-1H-1,2,4-triazole-5-thione?
You can request a quote for 3-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-4-phenyl-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 3-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-4-phenyl-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-4-phenyl-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.