5-methyl-2-[[4-(2-phenylethenylsulfonyl)piperazin-1-yl]methyl]-4-propan-2-yl-phenol
TL;DR: 5-methyl-2-[[4-(2-phenylethenylsulfonyl)piperazin-1-yl]methyl]-4-propan-2-yl-phenol (CAS 790709-26-1) is a chemical compound with molecular formula C23H30N2O3S and molecular weight 414.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]-4-propan-2-ylphenol
Also Known As: 5-methyl-2-[[4-(2-phenylethenylsulfonyl)piperazin-1-yl]methyl]-4-propan-2-yl-phenol, 5-methyl-2-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]-4-propan-2-ylphenol, 5-methyl-2-{[4-(2-phenylethenesulfonyl)piperazin-1-yl]methyl}-4-(propan-2-yl)phenol
| Molecular Formula | C23H30N2O3S |
|---|---|
| Molecular Weight | 414.20 g/mol |
| LogP | 3.94232 |
| Topological Polar Surface Area | 60.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.19772 |
| Heavy Atoms | 29 |
| Complexity | 961.1175 |
Chemical Identifiers
| CAS Number | 790709-26-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C(C)C)CN2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3)O |
Product Overview
5-methyl-2-[[4-(2-phenylethenylsulfonyl)piperazin-1-yl]methyl]-4-propan-2-yl-phenol (CAS 790709-26-1), with molecular formula C23H30N2O3S and molecular weight 414.20 g/mol. IUPAC: 5-methyl-2-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]-4-propan-2-ylphenol.
Chemical Property Profile of 5-methyl-2-[[4-(2-phenylethenylsulfonyl)piperazin-1-yl]methyl]-4-propan-2-yl-phenol
Property Insights of 5-methyl-2-[[4-(2-phenylethenylsulfonyl)piperazin-1-yl]methyl]-4-propan-2-yl-phenol
The XLogP value of 3.94232 indicates that 5-methyl-2-[[4-(2-phenylethenylsulfonyl)piperazin-1-yl]methyl]-4-propan-2-yl-phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-methyl-2-[[4-(2-phenylethenylsulfonyl)piperazin-1-yl]methyl]-4-propan-2-yl-phenol. Following Lipinski's Rule of Five, 5-methyl-2-[[4-(2-phenylethenylsulfonyl)piperazin-1-yl]methyl]-4-propan-2-yl-phenol has 1 hydrogen bond donor(s) and 4 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-methyl-2-[[4-(2-phenylethenylsulfonyl)piperazin-1-yl]methyl]-4-propan-2-yl-phenol?
The CAS number of 5-methyl-2-[[4-(2-phenylethenylsulfonyl)piperazin-1-yl]methyl]-4-propan-2-yl-phenol is 790709-26-1.
What is the molecular formula of 5-methyl-2-[[4-(2-phenylethenylsulfonyl)piperazin-1-yl]methyl]-4-propan-2-yl-phenol?
The molecular formula of 5-methyl-2-[[4-(2-phenylethenylsulfonyl)piperazin-1-yl]methyl]-4-propan-2-yl-phenol is C23H30N2O3S.
What is the molecular weight of 5-methyl-2-[[4-(2-phenylethenylsulfonyl)piperazin-1-yl]methyl]-4-propan-2-yl-phenol?
The molecular weight of 5-methyl-2-[[4-(2-phenylethenylsulfonyl)piperazin-1-yl]methyl]-4-propan-2-yl-phenol is 414.20 g/mol.
Where can I buy 5-methyl-2-[[4-(2-phenylethenylsulfonyl)piperazin-1-yl]methyl]-4-propan-2-yl-phenol?
You can request a quote for 5-methyl-2-[[4-(2-phenylethenylsulfonyl)piperazin-1-yl]methyl]-4-propan-2-yl-phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-methyl-2-[[4-(2-phenylethenylsulfonyl)piperazin-1-yl]methyl]-4-propan-2-yl-phenol?
Yes, KEHONG BIO provides custom synthesis services for 5-methyl-2-[[4-(2-phenylethenylsulfonyl)piperazin-1-yl]methyl]-4-propan-2-yl-phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.