![1-[4-(Methylsulfanyl)benzyl]-4-(pyridin-2-ylmethyl)piperazine structure](/static/products/4614/461403-29-2.webp)
1-[4-(Methylsulfanyl)benzyl]-4-(pyridin-2-ylmethyl)piperazine
TL;DR: 1-[4-(Methylsulfanyl)benzyl]-4-(pyridin-2-ylmethyl)piperazine (CAS 461403-29-2) is a chemical compound with molecular formula C18H23N3S and molecular weight 313.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-methylsulfanylphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine
Also Known As: 1-[4-(methylsulfanyl)benzyl]-4-(pyridin-2-ylmethyl)piperazine, 1-[(4-methylsulfanylphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine, 1-[4-(METHYLSULFANYL)BENZYL]-4-(2-PYRIDYLMETHYL)PIPERAZINE, methyl 4-{[4-(2-pyridinylmethyl)-1-piperazinyl]methyl}phenyl sulfide, 1-{[4-(METHYLSULFANYL)PHENYL]METHYL}-4-(PYRIDIN-2-YLMETHYL)PIPERAZINE
| Molecular Formula | C18H23N3S |
|---|---|
| Molecular Weight | 313.16 g/mol |
| LogP | 3.1213 |
| Topological Polar Surface Area | 19.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.16125 |
| Heavy Atoms | 22 |
| Complexity | 562.64594 |
Chemical Identifiers
| CAS Number | 461403-29-2 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)CN2CCN(CC2)CC3=CC=CC=N3 |
Product Overview
1-[4-(Methylsulfanyl)benzyl]-4-(pyridin-2-ylmethyl)piperazine (CAS 461403-29-2), with molecular formula C18H23N3S and molecular weight 313.16 g/mol. IUPAC: 1-[(4-methylsulfanylphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine.
Chemical Property Profile of 1-[4-(Methylsulfanyl)benzyl]-4-(pyridin-2-ylmethyl)piperazine
Property Insights of 1-[4-(Methylsulfanyl)benzyl]-4-(pyridin-2-ylmethyl)piperazine
The XLogP value of 3.1213 indicates that 1-[4-(Methylsulfanyl)benzyl]-4-(pyridin-2-ylmethyl)piperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 19.37 Ų, 1-[4-(Methylsulfanyl)benzyl]-4-(pyridin-2-ylmethyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[4-(Methylsulfanyl)benzyl]-4-(pyridin-2-ylmethyl)piperazine 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 1-[4-(Methylsulfanyl)benzyl]-4-(pyridin-2-ylmethyl)piperazine?
The CAS number of 1-[4-(Methylsulfanyl)benzyl]-4-(pyridin-2-ylmethyl)piperazine is 461403-29-2.
What is the molecular formula of 1-[4-(Methylsulfanyl)benzyl]-4-(pyridin-2-ylmethyl)piperazine?
The molecular formula of 1-[4-(Methylsulfanyl)benzyl]-4-(pyridin-2-ylmethyl)piperazine is C18H23N3S.
What is the molecular weight of 1-[4-(Methylsulfanyl)benzyl]-4-(pyridin-2-ylmethyl)piperazine?
The molecular weight of 1-[4-(Methylsulfanyl)benzyl]-4-(pyridin-2-ylmethyl)piperazine is 313.16 g/mol.
Where can I buy 1-[4-(Methylsulfanyl)benzyl]-4-(pyridin-2-ylmethyl)piperazine?
You can request a quote for 1-[4-(Methylsulfanyl)benzyl]-4-(pyridin-2-ylmethyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[4-(Methylsulfanyl)benzyl]-4-(pyridin-2-ylmethyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-(Methylsulfanyl)benzyl]-4-(pyridin-2-ylmethyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.