![2-({5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-phenylpiperazin-1-yl)ethanone structure](/static/products/7067/706767-87-5.webp)
2-({5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-phenylpiperazin-1-yl)ethanone
TL;DR: 2-({5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-phenylpiperazin-1-yl)ethanone (CAS 706767-87-5) is a chemical compound with molecular formula C29H31N5O2S and molecular weight 513.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
Also Known As: 2-({5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-phenylpiperazin-1-yl)ethanone, 2-[[5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
| Molecular Formula | C29H31N5O2S |
|---|---|
| Molecular Weight | 513.22 g/mol |
| LogP | 4.90404 |
| Topological Polar Surface Area | 63.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 513.21985 |
| Heavy Atoms | 37 |
| Complexity | 1314.9314 |
Chemical Identifiers
| CAS Number | 706767-87-5 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)OCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)N4CCN(CC4)C5=CC=CC=C5 |
Product Overview
2-({5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-phenylpiperazin-1-yl)ethanone (CAS 706767-87-5), with molecular formula C29H31N5O2S and molecular weight 513.22 g/mol. IUPAC: 2-[[5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone.
Chemical Property Profile of 2-({5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-phenylpiperazin-1-yl)ethanone
Property Insights of 2-({5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-phenylpiperazin-1-yl)ethanone
The XLogP value of 4.90404 indicates that 2-({5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-phenylpiperazin-1-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-phenylpiperazin-1-yl)ethanone. Following Lipinski's Rule of Five, 2-({5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-phenylpiperazin-1-yl)ethanone has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-({5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-phenylpiperazin-1-yl)ethanone?
The CAS number of 2-({5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-phenylpiperazin-1-yl)ethanone is 706767-87-5.
What is the molecular formula of 2-({5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-phenylpiperazin-1-yl)ethanone?
The molecular formula of 2-({5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-phenylpiperazin-1-yl)ethanone is C29H31N5O2S.
What is the molecular weight of 2-({5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-phenylpiperazin-1-yl)ethanone?
The molecular weight of 2-({5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-phenylpiperazin-1-yl)ethanone is 513.22 g/mol.
Where can I buy 2-({5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-phenylpiperazin-1-yl)ethanone?
You can request a quote for 2-({5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-phenylpiperazin-1-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-phenylpiperazin-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-({5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-phenylpiperazin-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.