1,4-Bis((phenylthio)methyl)piperazine
TL;DR: 1,4-Bis((phenylthio)methyl)piperazine (CAS 70772-79-1) is a chemical compound with molecular formula C18H22N2S2 and molecular weight 330.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-bis(phenylsulfanylmethyl)piperazine
Also Known As: 1,4-Bis((phenylthio)methyl)piperazine, 1,4-bis(phenylsulfanylmethyl)piperazine, PIPERAZINE, 1,4-BIS((PHENYLTHIO)METHYL)-, 1,4-BIS[(PHENYLSULFANYL)METHYL]PIPERAZINE, RefChem:73111
| Molecular Formula | C18H22N2S2 |
|---|---|
| Molecular Weight | 330.12 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 57.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 330.12244 |
| Heavy Atoms | 22 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 70772-79-1 |
|---|---|
| SMILES | C1CN(CCN1CSC2=CC=CC=C2)CSC3=CC=CC=C3 |
| InChIKey | ZQPKZCABUCYMPS-UHFFFAOYSA-N |
Product Overview
1,4-Bis((phenylthio)methyl)piperazine (CAS 70772-79-1), with molecular formula C18H22N2S2 and molecular weight 330.12 g/mol. IUPAC: 1,4-bis(phenylsulfanylmethyl)piperazine.
Chemical Property Profile of 1,4-Bis((phenylthio)methyl)piperazine
Property Insights of 1,4-Bis((phenylthio)methyl)piperazine
The XLogP value of 4.7 indicates that 1,4-Bis((phenylthio)methyl)piperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.1 Ų, 1,4-Bis((phenylthio)methyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Bis((phenylthio)methyl)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-Bis((phenylthio)methyl)piperazine?
The CAS number of 1,4-Bis((phenylthio)methyl)piperazine is 70772-79-1.
What is the molecular formula of 1,4-Bis((phenylthio)methyl)piperazine?
The molecular formula of 1,4-Bis((phenylthio)methyl)piperazine is C18H22N2S2.
What is the molecular weight of 1,4-Bis((phenylthio)methyl)piperazine?
The molecular weight of 1,4-Bis((phenylthio)methyl)piperazine is 330.12 g/mol.
Where can I buy 1,4-Bis((phenylthio)methyl)piperazine?
You can request a quote for 1,4-Bis((phenylthio)methyl)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-Bis((phenylthio)methyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Bis((phenylthio)methyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.