Piperazine, 1-((2-(phenylthio)phenyl)methyl)-, monomethanesulfonate
TL;DR: Piperazine, 1-((2-(phenylthio)phenyl)methyl)-, monomethanesulfonate (CAS 4354-85-2) is a chemical compound with molecular formula C18H24N2O3S2 and molecular weight 380.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methanesulfonic acid;1-[(2-phenylsulfanylphenyl)methyl]piperazine
Also Known As: 1-(2-Phenylthiobenzyl)piperazine mesylate, 1-(2-Phenylthiobenzyl)piperazine methanesulfonate, 1-((2-(Phenylthio)phenyl)methyl)piperazine methanesulfonate, 1-[2-(phenylsulfanyl)benzyl]piperazine methanesulfonate(1:1), Piperazine, 1-((2-(phenylthio)phenyl)methyl)-, monomethanesulfonate
| Molecular Formula | C18H24N2O3S2 |
|---|---|
| Molecular Weight | 380.12 g/mol |
| LogP | 2.747 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 380.12283 |
| Heavy Atoms | 25 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 4354-85-2 |
|---|---|
| SMILES | CS(=O)(=O)O.C1CN(CCN1)CC2=CC=CC=C2SC3=CC=CC=C3 |
| InChIKey | BQDPGEPRIYPACS-UHFFFAOYSA-N |
Product Overview
Piperazine, 1-((2-(phenylthio)phenyl)methyl)-, monomethanesulfonate (CAS 4354-85-2), with molecular formula C18H24N2O3S2 and molecular weight 380.12 g/mol. IUPAC: methanesulfonic acid;1-[(2-phenylsulfanylphenyl)methyl]piperazine.
Chemical Property Profile of Piperazine, 1-((2-(phenylthio)phenyl)methyl)-, monomethanesulfonate
Property Insights of Piperazine, 1-((2-(phenylthio)phenyl)methyl)-, monomethanesulfonate
The XLogP value of 2.747 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piperazine, 1-((2-(phenylthio)phenyl)methyl)-, monomethanesulfonate. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Piperazine, 1-((2-(phenylthio)phenyl)methyl)-, monomethanesulfonate. Following Lipinski's Rule of Five, Piperazine, 1-((2-(phenylthio)phenyl)methyl)-, monomethanesulfonate has 2 hydrogen bond donor(s) and 6 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 Piperazine, 1-((2-(phenylthio)phenyl)methyl)-, monomethanesulfonate?
The CAS number of Piperazine, 1-((2-(phenylthio)phenyl)methyl)-, monomethanesulfonate is 4354-85-2.
What is the molecular formula of Piperazine, 1-((2-(phenylthio)phenyl)methyl)-, monomethanesulfonate?
The molecular formula of Piperazine, 1-((2-(phenylthio)phenyl)methyl)-, monomethanesulfonate is C18H24N2O3S2.
What is the molecular weight of Piperazine, 1-((2-(phenylthio)phenyl)methyl)-, monomethanesulfonate?
The molecular weight of Piperazine, 1-((2-(phenylthio)phenyl)methyl)-, monomethanesulfonate is 380.12 g/mol.
Where can I buy Piperazine, 1-((2-(phenylthio)phenyl)methyl)-, monomethanesulfonate?
You can request a quote for Piperazine, 1-((2-(phenylthio)phenyl)methyl)-, monomethanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Piperazine, 1-((2-(phenylthio)phenyl)methyl)-, monomethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Piperazine, 1-((2-(phenylthio)phenyl)methyl)-, monomethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.