![3-[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-(1-phenylethyl)-1H-1,2,4-triazole-5-thione structure](/static/products/1005/1005635-91-5.webp)
3-[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-(1-phenylethyl)-1H-1,2,4-triazole-5-thione
TL;DR: 3-[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-(1-phenylethyl)-1H-1,2,4-triazole-5-thione (CAS 1005635-91-5) is a chemical compound with molecular formula C22H22BrN5S and molecular weight 467.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-(1-phenylethyl)-1H-1,2,4-triazole-5-thione
Also Known As: 3-[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-(1-phenylethyl)-1H-1,2,4-triazole-5-thione, 5-{4-[(4-BROMO-3,5-DIMETHYL-1H-PYRAZOL-1-YL)METHYL]PHENYL}-4-(1-PHENYLETHYL)-4H-1,2,4-TRIAZOL-3-YLHYDROSULFIDE, 5-{4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}-4-(1-phenylethyl)-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C22H22BrN5S |
|---|---|
| Molecular Weight | 467.08 g/mol |
| LogP | 5.84113 |
| Topological Polar Surface Area | 51.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 467.07794 |
| Heavy Atoms | 29 |
| Complexity | 1188.4232 |
Chemical Identifiers
| CAS Number | 1005635-91-5 |
|---|---|
| SMILES | CC1=C(C(=NN1CC2=CC=C(C=C2)C3=NNC(=S)N3C(C)C4=CC=CC=C4)C)Br |
Product Overview
3-[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-(1-phenylethyl)-1H-1,2,4-triazole-5-thione (CAS 1005635-91-5), with molecular formula C22H22BrN5S and molecular weight 467.08 g/mol. IUPAC: 3-[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-(1-phenylethyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 3-[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-(1-phenylethyl)-1H-1,2,4-triazole-5-thione
Property Insights of 3-[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-(1-phenylethyl)-1H-1,2,4-triazole-5-thione
The XLogP value of 5.84113 indicates that 3-[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-(1-phenylethyl)-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-[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-(1-phenylethyl)-1H-1,2,4-triazole-5-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-(1-phenylethyl)-1H-1,2,4-triazole-5-thione has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-(1-phenylethyl)-1H-1,2,4-triazole-5-thione?
The CAS number of 3-[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-(1-phenylethyl)-1H-1,2,4-triazole-5-thione is 1005635-91-5.
What is the molecular formula of 3-[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-(1-phenylethyl)-1H-1,2,4-triazole-5-thione?
The molecular formula of 3-[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-(1-phenylethyl)-1H-1,2,4-triazole-5-thione is C22H22BrN5S.
What is the molecular weight of 3-[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-(1-phenylethyl)-1H-1,2,4-triazole-5-thione?
The molecular weight of 3-[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-(1-phenylethyl)-1H-1,2,4-triazole-5-thione is 467.08 g/mol.
Where can I buy 3-[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-(1-phenylethyl)-1H-1,2,4-triazole-5-thione?
You can request a quote for 3-[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-(1-phenylethyl)-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-[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-(1-phenylethyl)-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-(1-phenylethyl)-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.