![{4-[4-(Methylsulfanyl)benzyl]piperazin-1-yl}(phenyl)methanone structure](/static/products/4620/462097-91-2.webp)
{4-[4-(Methylsulfanyl)benzyl]piperazin-1-yl}(phenyl)methanone
TL;DR: {4-[4-(Methylsulfanyl)benzyl]piperazin-1-yl}(phenyl)methanone (CAS 462097-91-2) is a chemical compound with molecular formula C19H22N2OS and molecular weight 326.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]-phenylmethanone
Also Known As: BAS 01375871, {4-[4-(methylsulfanyl)benzyl]piperazin-1-yl}(phenyl)methanone, AT-057/40719442, [4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]-phenylmethanone, 4-[(4-methylthiophenyl)methyl]piperazinyl phenyl ketone
| Molecular Formula | C19H22N2OS |
|---|---|
| Molecular Weight | 326.15 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 48.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.1453 |
| Heavy Atoms | 23 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 462097-91-2 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=CC=C3 |
| InChIKey | QOYMZWVRDYLLAC-UHFFFAOYSA-N |
Product Overview
{4-[4-(Methylsulfanyl)benzyl]piperazin-1-yl}(phenyl)methanone (CAS 462097-91-2), with molecular formula C19H22N2OS and molecular weight 326.15 g/mol. IUPAC: [4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]-phenylmethanone.
Chemical Property Profile of {4-[4-(Methylsulfanyl)benzyl]piperazin-1-yl}(phenyl)methanone
Property Insights of {4-[4-(Methylsulfanyl)benzyl]piperazin-1-yl}(phenyl)methanone
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for {4-[4-(Methylsulfanyl)benzyl]piperazin-1-yl}(phenyl)methanone. With a topological polar surface area (TPSA) of 48.9 Ų, {4-[4-(Methylsulfanyl)benzyl]piperazin-1-yl}(phenyl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, {4-[4-(Methylsulfanyl)benzyl]piperazin-1-yl}(phenyl)methanone 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 {4-[4-(Methylsulfanyl)benzyl]piperazin-1-yl}(phenyl)methanone?
The CAS number of {4-[4-(Methylsulfanyl)benzyl]piperazin-1-yl}(phenyl)methanone is 462097-91-2.
What is the molecular formula of {4-[4-(Methylsulfanyl)benzyl]piperazin-1-yl}(phenyl)methanone?
The molecular formula of {4-[4-(Methylsulfanyl)benzyl]piperazin-1-yl}(phenyl)methanone is C19H22N2OS.
What is the molecular weight of {4-[4-(Methylsulfanyl)benzyl]piperazin-1-yl}(phenyl)methanone?
The molecular weight of {4-[4-(Methylsulfanyl)benzyl]piperazin-1-yl}(phenyl)methanone is 326.15 g/mol.
Where can I buy {4-[4-(Methylsulfanyl)benzyl]piperazin-1-yl}(phenyl)methanone?
You can request a quote for {4-[4-(Methylsulfanyl)benzyl]piperazin-1-yl}(phenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {4-[4-(Methylsulfanyl)benzyl]piperazin-1-yl}(phenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for {4-[4-(Methylsulfanyl)benzyl]piperazin-1-yl}(phenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.