![2-[(4-Methyl-1-piperazinyl)methyl]phenyl phenyl sulfide structure](/static/products/129/1293489-64-1.png)
2-[(4-Methyl-1-piperazinyl)methyl]phenyl phenyl sulfide
TL;DR: 2-[(4-Methyl-1-piperazinyl)methyl]phenyl phenyl sulfide (CAS 1293489-64-1) is a chemical compound with molecular formula C18H22N2S and molecular weight 298.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-[(2-phenylsulfanylphenyl)methyl]piperazine
Also Known As: Piperazine Impurity 2, Piperazine Impurity 4, Vortioxetine Impurity 36, Vortioxetine Impurity 54, 2-[(4-methyl-1-piperazinyl)methyl]phenyl phenyl sulfide
| Molecular Formula | C18H22N2S |
|---|---|
| Molecular Weight | 298.15 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 31.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.15036 |
| Heavy Atoms | 21 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 1293489-64-1 |
|---|---|
| SMILES | CN1CCN(CC1)CC2=CC=CC=C2SC3=CC=CC=C3 |
| InChIKey | OEBSPMCYVVRUNV-UHFFFAOYSA-N |
Product Overview
2-[(4-Methyl-1-piperazinyl)methyl]phenyl phenyl sulfide (CAS 1293489-64-1), with molecular formula C18H22N2S and molecular weight 298.15 g/mol. IUPAC: 1-methyl-4-[(2-phenylsulfanylphenyl)methyl]piperazine.
Chemical Property Profile of 2-[(4-Methyl-1-piperazinyl)methyl]phenyl phenyl sulfide
Property Insights of 2-[(4-Methyl-1-piperazinyl)methyl]phenyl phenyl sulfide
The XLogP value of 3.6 indicates that 2-[(4-Methyl-1-piperazinyl)methyl]phenyl phenyl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.8 Ų, 2-[(4-Methyl-1-piperazinyl)methyl]phenyl phenyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-Methyl-1-piperazinyl)methyl]phenyl phenyl sulfide 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 2-[(4-Methyl-1-piperazinyl)methyl]phenyl phenyl sulfide?
The CAS number of 2-[(4-Methyl-1-piperazinyl)methyl]phenyl phenyl sulfide is 1293489-64-1.
What is the molecular formula of 2-[(4-Methyl-1-piperazinyl)methyl]phenyl phenyl sulfide?
The molecular formula of 2-[(4-Methyl-1-piperazinyl)methyl]phenyl phenyl sulfide is C18H22N2S.
What is the molecular weight of 2-[(4-Methyl-1-piperazinyl)methyl]phenyl phenyl sulfide?
The molecular weight of 2-[(4-Methyl-1-piperazinyl)methyl]phenyl phenyl sulfide is 298.15 g/mol.
Where can I buy 2-[(4-Methyl-1-piperazinyl)methyl]phenyl phenyl sulfide?
You can request a quote for 2-[(4-Methyl-1-piperazinyl)methyl]phenyl phenyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-Methyl-1-piperazinyl)methyl]phenyl phenyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Methyl-1-piperazinyl)methyl]phenyl phenyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.