![1-[2-[(3,5-Dimethylphenyl)thio]phenyl]piperazine structure](/static/products/508/508233-75-8.png)
1-[2-[(3,5-Dimethylphenyl)thio]phenyl]piperazine
TL;DR: 1-[2-[(3,5-Dimethylphenyl)thio]phenyl]piperazine (CAS 508233-75-8) 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-[2-(3,5-dimethylphenyl)sulfanylphenyl]piperazine
Also Known As: Vortioxetine Impurity D, Vortioxetine Impurity 144, 1-[2-[(3,5-Dimethylphenyl)thio]phenyl]piperazine, 1-(2-((3,5-Dimethylphenyl)thio)phenyl)piperazine, 1-[2-(3,5-dimethylphenyl)sulfanylphenyl]piperazine
| Molecular Formula | C18H22N2S |
|---|---|
| Molecular Weight | 298.15 g/mol |
| LogP | 3.86424 |
| Topological Polar Surface Area | 15.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.15036 |
| Heavy Atoms | 21 |
| Complexity | 598.1154 |
Chemical Identifiers
| CAS Number | 508233-75-8 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)SC2=CC=CC=C2N3CCNCC3)C |
Product Overview
1-[2-[(3,5-Dimethylphenyl)thio]phenyl]piperazine (CAS 508233-75-8), with molecular formula C18H22N2S and molecular weight 298.15 g/mol. IUPAC: 1-[2-(3,5-dimethylphenyl)sulfanylphenyl]piperazine.
Chemical Property Profile of 1-[2-[(3,5-Dimethylphenyl)thio]phenyl]piperazine
Property Insights of 1-[2-[(3,5-Dimethylphenyl)thio]phenyl]piperazine
The XLogP value of 3.86424 indicates that 1-[2-[(3,5-Dimethylphenyl)thio]phenyl]piperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.27 Ų, 1-[2-[(3,5-Dimethylphenyl)thio]phenyl]piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[2-[(3,5-Dimethylphenyl)thio]phenyl]piperazine has 1 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-[2-[(3,5-Dimethylphenyl)thio]phenyl]piperazine?
The CAS number of 1-[2-[(3,5-Dimethylphenyl)thio]phenyl]piperazine is 508233-75-8.
What is the molecular formula of 1-[2-[(3,5-Dimethylphenyl)thio]phenyl]piperazine?
The molecular formula of 1-[2-[(3,5-Dimethylphenyl)thio]phenyl]piperazine is C18H22N2S.
What is the molecular weight of 1-[2-[(3,5-Dimethylphenyl)thio]phenyl]piperazine?
The molecular weight of 1-[2-[(3,5-Dimethylphenyl)thio]phenyl]piperazine is 298.15 g/mol.
Where can I buy 1-[2-[(3,5-Dimethylphenyl)thio]phenyl]piperazine?
You can request a quote for 1-[2-[(3,5-Dimethylphenyl)thio]phenyl]piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[2-[(3,5-Dimethylphenyl)thio]phenyl]piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-[2-[(3,5-Dimethylphenyl)thio]phenyl]piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.