![[4-[(4-Methylsulfanylphenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone structure](/static/products/4894/489443-41-6.webp)
[4-[(4-Methylsulfanylphenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone
TL;DR: [4-[(4-Methylsulfanylphenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone (CAS 489443-41-6) is a chemical compound with molecular formula C18H21N3OS and molecular weight 327.14 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]-pyridin-4-ylmethanone
Also Known As: BAS 04443671, [4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone, (4-(4-(methylthio)benzyl)piperazin-1-yl)(pyridin-4-yl)methanone, [4-(4-Methylsulfanyl-benzyl)-piperazin-1-yl]-pyridin-4-yl-methanone, {4-[4-(methylsulfanyl)benzyl]piperazin-1-yl}(pyridin-4-yl)methanone
| Molecular Formula | C18H21N3OS |
|---|---|
| Molecular Weight | 327.14 g/mol |
| LogP | 2.7615 |
| Topological Polar Surface Area | 36.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.14053 |
| Heavy Atoms | 23 |
| Complexity | 637.0761 |
Chemical Identifiers
| CAS Number | 489443-41-6 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=NC=C3 |
Product Overview
[4-[(4-Methylsulfanylphenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone (CAS 489443-41-6), with molecular formula C18H21N3OS and molecular weight 327.14 g/mol. IUPAC: [4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone.
Chemical Property Profile of [4-[(4-Methylsulfanylphenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone
Property Insights of [4-[(4-Methylsulfanylphenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone
The XLogP value of 2.7615 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [4-[(4-Methylsulfanylphenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone. With a topological polar surface area (TPSA) of 36.44 Ų, [4-[(4-Methylsulfanylphenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [4-[(4-Methylsulfanylphenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone has 0 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 [4-[(4-Methylsulfanylphenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone?
The CAS number of [4-[(4-Methylsulfanylphenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone is 489443-41-6.
What is the molecular formula of [4-[(4-Methylsulfanylphenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone?
The molecular formula of [4-[(4-Methylsulfanylphenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone is C18H21N3OS.
What is the molecular weight of [4-[(4-Methylsulfanylphenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone?
The molecular weight of [4-[(4-Methylsulfanylphenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone is 327.14 g/mol.
Where can I buy [4-[(4-Methylsulfanylphenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone?
You can request a quote for [4-[(4-Methylsulfanylphenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-[(4-Methylsulfanylphenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone?
Yes, KEHONG BIO provides custom synthesis services for [4-[(4-Methylsulfanylphenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.