![1-(Ethylsulfonyl)-4-[4-(methylsulfanyl)benzyl]piperazine structure](/static/products/4288/428829-35-0.webp)
1-(Ethylsulfonyl)-4-[4-(methylsulfanyl)benzyl]piperazine
TL;DR: 1-(Ethylsulfonyl)-4-[4-(methylsulfanyl)benzyl]piperazine (CAS 428829-35-0) is a chemical compound with molecular formula C14H22N2O2S2 and molecular weight 314.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethylsulfonyl-4-[(4-methylsulfanylphenyl)methyl]piperazine
Also Known As: 1-(ethylsulfonyl)-4-[4-(methylsulfanyl)benzyl]piperazine, 1-ethylsulfonyl-4-[(4-methylsulfanylphenyl)methyl]piperazine, 1-(ethylsulfonyl)-4-[(4-methylthiophenyl)methyl]piperazine, 1-(ETHANESULFONYL)-4-{[4-(METHYLSULFANYL)PHENYL]METHYL}PIPERAZINE
| Molecular Formula | C14H22N2O2S2 |
|---|---|
| Molecular Weight | 314.11 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 74.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 314.11227 |
| Heavy Atoms | 20 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 428829-35-0 |
|---|---|
| SMILES | CCS(=O)(=O)N1CCN(CC1)CC2=CC=C(C=C2)SC |
| InChIKey | CWEVCYLTISUQNE-UHFFFAOYSA-N |
Product Overview
1-(Ethylsulfonyl)-4-[4-(methylsulfanyl)benzyl]piperazine (CAS 428829-35-0), with molecular formula C14H22N2O2S2 and molecular weight 314.11 g/mol. IUPAC: 1-ethylsulfonyl-4-[(4-methylsulfanylphenyl)methyl]piperazine.
Chemical Property Profile of 1-(Ethylsulfonyl)-4-[4-(methylsulfanyl)benzyl]piperazine
Property Insights of 1-(Ethylsulfonyl)-4-[4-(methylsulfanyl)benzyl]piperazine
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Ethylsulfonyl)-4-[4-(methylsulfanyl)benzyl]piperazine. The TPSA of 74.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Ethylsulfonyl)-4-[4-(methylsulfanyl)benzyl]piperazine. Following Lipinski's Rule of Five, 1-(Ethylsulfonyl)-4-[4-(methylsulfanyl)benzyl]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-(Ethylsulfonyl)-4-[4-(methylsulfanyl)benzyl]piperazine?
The CAS number of 1-(Ethylsulfonyl)-4-[4-(methylsulfanyl)benzyl]piperazine is 428829-35-0.
What is the molecular formula of 1-(Ethylsulfonyl)-4-[4-(methylsulfanyl)benzyl]piperazine?
The molecular formula of 1-(Ethylsulfonyl)-4-[4-(methylsulfanyl)benzyl]piperazine is C14H22N2O2S2.
What is the molecular weight of 1-(Ethylsulfonyl)-4-[4-(methylsulfanyl)benzyl]piperazine?
The molecular weight of 1-(Ethylsulfonyl)-4-[4-(methylsulfanyl)benzyl]piperazine is 314.11 g/mol.
Where can I buy 1-(Ethylsulfonyl)-4-[4-(methylsulfanyl)benzyl]piperazine?
You can request a quote for 1-(Ethylsulfonyl)-4-[4-(methylsulfanyl)benzyl]piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Ethylsulfonyl)-4-[4-(methylsulfanyl)benzyl]piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(Ethylsulfonyl)-4-[4-(methylsulfanyl)benzyl]piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.