![1-Ethyl-4-(4-{[(4-methylphenyl)thio]methyl}benzoyl)piperazine structure](/static/products/831/831240-50-7.png)
1-Ethyl-4-(4-{[(4-methylphenyl)thio]methyl}benzoyl)piperazine
TL;DR: 1-Ethyl-4-(4-{[(4-methylphenyl)thio]methyl}benzoyl)piperazine (CAS 831240-50-7) is a chemical compound with molecular formula C21H26N2OS and molecular weight 354.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-ethylpiperazin-1-yl)-[4-[(4-methylphenyl)sulfanylmethyl]phenyl]methanone
Also Known As: (4-Ethyl-1-piperazinyl)[4-[[(4-methylphenyl)thio]methyl]phenyl]methanone, 1-ethyl-4-(4-{[(4-methylphenyl)thio]methyl}benzoyl)piperazine, (4-ethylpiperazin-1-yl)-[4-[(4-methylphenyl)sulfanylmethyl]phenyl]methanone, (4-ethylpiperazin-1-yl)(4-{[(4-methylphenyl)sulfanyl]methyl}phenyl)methanone
| Molecular Formula | C21H26N2OS |
|---|---|
| Molecular Weight | 354.18 g/mol |
| LogP | 4.06502 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 354.17657 |
| Heavy Atoms | 25 |
| Complexity | 688.84094 |
Chemical Identifiers
| CAS Number | 831240-50-7 |
|---|---|
| SMILES | CCN1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)C |
Product Overview
1-Ethyl-4-(4-{[(4-methylphenyl)thio]methyl}benzoyl)piperazine (CAS 831240-50-7), with molecular formula C21H26N2OS and molecular weight 354.18 g/mol. IUPAC: (4-ethylpiperazin-1-yl)-[4-[(4-methylphenyl)sulfanylmethyl]phenyl]methanone.
Chemical Property Profile of 1-Ethyl-4-(4-{[(4-methylphenyl)thio]methyl}benzoyl)piperazine
Property Insights of 1-Ethyl-4-(4-{[(4-methylphenyl)thio]methyl}benzoyl)piperazine
The XLogP value of 4.06502 indicates that 1-Ethyl-4-(4-{[(4-methylphenyl)thio]methyl}benzoyl)piperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.55 Ų, 1-Ethyl-4-(4-{[(4-methylphenyl)thio]methyl}benzoyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethyl-4-(4-{[(4-methylphenyl)thio]methyl}benzoyl)piperazine has 0 hydrogen bond donor(s) and 3 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-Ethyl-4-(4-{[(4-methylphenyl)thio]methyl}benzoyl)piperazine?
The CAS number of 1-Ethyl-4-(4-{[(4-methylphenyl)thio]methyl}benzoyl)piperazine is 831240-50-7.
What is the molecular formula of 1-Ethyl-4-(4-{[(4-methylphenyl)thio]methyl}benzoyl)piperazine?
The molecular formula of 1-Ethyl-4-(4-{[(4-methylphenyl)thio]methyl}benzoyl)piperazine is C21H26N2OS.
What is the molecular weight of 1-Ethyl-4-(4-{[(4-methylphenyl)thio]methyl}benzoyl)piperazine?
The molecular weight of 1-Ethyl-4-(4-{[(4-methylphenyl)thio]methyl}benzoyl)piperazine is 354.18 g/mol.
Where can I buy 1-Ethyl-4-(4-{[(4-methylphenyl)thio]methyl}benzoyl)piperazine?
You can request a quote for 1-Ethyl-4-(4-{[(4-methylphenyl)thio]methyl}benzoyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethyl-4-(4-{[(4-methylphenyl)thio]methyl}benzoyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethyl-4-(4-{[(4-methylphenyl)thio]methyl}benzoyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.