![1-[4-(Methylsulfanyl)benzyl]-4-(propylsulfonyl)piperazine structure](/static/products/4288/428828-80-2.webp)
1-[4-(Methylsulfanyl)benzyl]-4-(propylsulfonyl)piperazine
TL;DR: 1-[4-(Methylsulfanyl)benzyl]-4-(propylsulfonyl)piperazine (CAS 428828-80-2) is a chemical compound with molecular formula C15H24N2O2S2 and molecular weight 328.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-methylsulfanylphenyl)methyl]-4-propylsulfonylpiperazine
Also Known As: BAS 03152633, 1-[4-(methylsulfanyl)benzyl]-4-(propylsulfonyl)piperazine, 1-[(4-methylsulfanylphenyl)methyl]-4-propylsulfonylpiperazine, 1-(4-Methylsulfanyl-benzyl)-4-(propane-1-sulfonyl)-piperazine, 4-[(4-methylthiophenyl)methyl]-1-(propylsulfonyl)piperazine
| Molecular Formula | C15H24N2O2S2 |
|---|---|
| Molecular Weight | 328.13 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 74.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 328.12793 |
| Heavy Atoms | 21 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 428828-80-2 |
|---|---|
| SMILES | CCCS(=O)(=O)N1CCN(CC1)CC2=CC=C(C=C2)SC |
| InChIKey | XFZZYJIVOFUXAW-UHFFFAOYSA-N |
Product Overview
1-[4-(Methylsulfanyl)benzyl]-4-(propylsulfonyl)piperazine (CAS 428828-80-2), with molecular formula C15H24N2O2S2 and molecular weight 328.13 g/mol. IUPAC: 1-[(4-methylsulfanylphenyl)methyl]-4-propylsulfonylpiperazine.
Chemical Property Profile of 1-[4-(Methylsulfanyl)benzyl]-4-(propylsulfonyl)piperazine
Property Insights of 1-[4-(Methylsulfanyl)benzyl]-4-(propylsulfonyl)piperazine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[4-(Methylsulfanyl)benzyl]-4-(propylsulfonyl)piperazine. The TPSA of 74.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[4-(Methylsulfanyl)benzyl]-4-(propylsulfonyl)piperazine. Following Lipinski's Rule of Five, 1-[4-(Methylsulfanyl)benzyl]-4-(propylsulfonyl)piperazine has 0 hydrogen bond donor(s) and 5 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 1-[4-(Methylsulfanyl)benzyl]-4-(propylsulfonyl)piperazine?
The CAS number of 1-[4-(Methylsulfanyl)benzyl]-4-(propylsulfonyl)piperazine is 428828-80-2.
What is the molecular formula of 1-[4-(Methylsulfanyl)benzyl]-4-(propylsulfonyl)piperazine?
The molecular formula of 1-[4-(Methylsulfanyl)benzyl]-4-(propylsulfonyl)piperazine is C15H24N2O2S2.
What is the molecular weight of 1-[4-(Methylsulfanyl)benzyl]-4-(propylsulfonyl)piperazine?
The molecular weight of 1-[4-(Methylsulfanyl)benzyl]-4-(propylsulfonyl)piperazine is 328.13 g/mol.
Where can I buy 1-[4-(Methylsulfanyl)benzyl]-4-(propylsulfonyl)piperazine?
You can request a quote for 1-[4-(Methylsulfanyl)benzyl]-4-(propylsulfonyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[4-(Methylsulfanyl)benzyl]-4-(propylsulfonyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-(Methylsulfanyl)benzyl]-4-(propylsulfonyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.