![4-benzyl-3-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione structure](/static/products/5128/512816-77-2.webp)
4-benzyl-3-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione
TL;DR: 4-benzyl-3-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione (CAS 512816-77-2) is a chemical compound with molecular formula C16H18BrN5S and molecular weight 391.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-3-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione
Also Known As: 4-benzyl-3-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione, 4-benzyl-5-[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol, 4-benzyl-5-[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazol-3-yl hydrosulfide, 4-BENZYL-5-[2-(4-BROMO-3,5-DIMETHYL-1H-PYRAZOL-1-YL)ETHYL]-4H-1,2,4-TRIAZOL-3-YLHYDROSULFIDE
| Molecular Formula | C16H18BrN5S |
|---|---|
| Molecular Weight | 391.05 g/mol |
| LogP | 3.80753 |
| Topological Polar Surface Area | 51.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 391.04663 |
| Heavy Atoms | 23 |
| Complexity | 862.4756 |
Chemical Identifiers
| CAS Number | 512816-77-2 |
|---|---|
| SMILES | CC1=C(C(=NN1CCC2=NNC(=S)N2CC3=CC=CC=C3)C)Br |
Product Overview
4-benzyl-3-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione (CAS 512816-77-2), with molecular formula C16H18BrN5S and molecular weight 391.05 g/mol. IUPAC: 4-benzyl-3-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-benzyl-3-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione
Property Insights of 4-benzyl-3-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione
The XLogP value of 3.80753 indicates that 4-benzyl-3-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-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, 4-benzyl-3-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-benzyl-3-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-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 4-benzyl-3-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione?
The CAS number of 4-benzyl-3-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione is 512816-77-2.
What is the molecular formula of 4-benzyl-3-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione?
The molecular formula of 4-benzyl-3-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione is C16H18BrN5S.
What is the molecular weight of 4-benzyl-3-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione?
The molecular weight of 4-benzyl-3-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione is 391.05 g/mol.
Where can I buy 4-benzyl-3-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione?
You can request a quote for 4-benzyl-3-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-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-benzyl-3-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-benzyl-3-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.