Piperazine, 1-((4-(methylthio)phenyl)methyl)-, monomethanesulfonate
TL;DR: Piperazine, 1-((4-(methylthio)phenyl)methyl)-, monomethanesulfonate (CAS 59083-72-6) is a chemical compound with molecular formula C13H22N2O3S2 and molecular weight 318.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methanesulfonic acid;1-[(4-methylsulfanylphenyl)methyl]piperazine
Also Known As: Piperazine, 1-((4-(methylthio)phenyl)methyl)-, monomethanesulfonate, 1-((4-(Methylthio)phenyl)methyl)piperazine monomethanesulfonate, methanesulfonic acid,1-[(4-methylsulfanylphenyl)methyl]piperazine, methanesulfonic acid; 1-[(4-methylsulfanylphenyl)methyl]piperazine, Methanesulfonic acid--1-{[4-(methylsulfanyl)phenyl]methyl}piperazine (1/1)
| Molecular Formula | C13H22N2O3S2 |
|---|---|
| Molecular Weight | 318.11 g/mol |
| LogP | 1.3177 |
| Topological Polar Surface Area | 69.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.10718 |
| Heavy Atoms | 20 |
| Complexity | 474.84265 |
Chemical Identifiers
| CAS Number | 59083-72-6 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)CN2CCNCC2.CS(=O)(=O)O |
Product Overview
Piperazine, 1-((4-(methylthio)phenyl)methyl)-, monomethanesulfonate (CAS 59083-72-6), with molecular formula C13H22N2O3S2 and molecular weight 318.11 g/mol. IUPAC: methanesulfonic acid;1-[(4-methylsulfanylphenyl)methyl]piperazine.
Chemical Property Profile of Piperazine, 1-((4-(methylthio)phenyl)methyl)-, monomethanesulfonate
Property Insights of Piperazine, 1-((4-(methylthio)phenyl)methyl)-, monomethanesulfonate
The XLogP value of 1.3177 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piperazine, 1-((4-(methylthio)phenyl)methyl)-, monomethanesulfonate. The TPSA of 69.64 Ų falls within the moderate polarity range, balancing permeability and solubility for Piperazine, 1-((4-(methylthio)phenyl)methyl)-, monomethanesulfonate. Following Lipinski's Rule of Five, Piperazine, 1-((4-(methylthio)phenyl)methyl)-, monomethanesulfonate has 2 hydrogen bond donor(s) and 5 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-((4-(methylthio)phenyl)methyl)-, monomethanesulfonate?
The CAS number of Piperazine, 1-((4-(methylthio)phenyl)methyl)-, monomethanesulfonate is 59083-72-6.
What is the molecular formula of Piperazine, 1-((4-(methylthio)phenyl)methyl)-, monomethanesulfonate?
The molecular formula of Piperazine, 1-((4-(methylthio)phenyl)methyl)-, monomethanesulfonate is C13H22N2O3S2.
What is the molecular weight of Piperazine, 1-((4-(methylthio)phenyl)methyl)-, monomethanesulfonate?
The molecular weight of Piperazine, 1-((4-(methylthio)phenyl)methyl)-, monomethanesulfonate is 318.11 g/mol.
Where can I buy Piperazine, 1-((4-(methylthio)phenyl)methyl)-, monomethanesulfonate?
You can request a quote for Piperazine, 1-((4-(methylthio)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-((4-(methylthio)phenyl)methyl)-, monomethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Piperazine, 1-((4-(methylthio)phenyl)methyl)-, monomethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.