Piperazine, 1-((2-(methylthio)phenyl)methyl)-, (Z)-2-butenedioate (1:1)
TL;DR: Piperazine, 1-((2-(methylthio)phenyl)methyl)-, (Z)-2-butenedioate (1:1) (CAS 59083-70-4) is a chemical compound with molecular formula C16H22N2O4S and molecular weight 338.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;1-[(2-methylsulfanylphenyl)methyl]piperazine
Also Known As: 1-((2-(Methylthio)phenyl)methyl)piperazine (Z)-2-butenedioate (1:1), Piperazine, 1-((2-(methylthio)phenyl)methyl)-, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 1-[(2-methylsulfanylphenyl)methyl]piperazine, RefChem:1095656
| Molecular Formula | C16H22N2O4S |
|---|---|
| Molecular Weight | 338.13 g/mol |
| LogP | 1.5255 |
| Topological Polar Surface Area | 89.87 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 338.13004 |
| Heavy Atoms | 23 |
| Complexity | 526.6367 |
Chemical Identifiers
| CAS Number | 59083-70-4 |
|---|---|
| SMILES | CSC1=CC=CC=C1CN2CCNCC2.C(=C/C(=O)O)\C(=O)O |
Product Overview
Piperazine, 1-((2-(methylthio)phenyl)methyl)-, (Z)-2-butenedioate (1:1) (CAS 59083-70-4), with molecular formula C16H22N2O4S and molecular weight 338.13 g/mol. IUPAC: (E)-but-2-enedioic acid;1-[(2-methylsulfanylphenyl)methyl]piperazine.
Chemical Property Profile of Piperazine, 1-((2-(methylthio)phenyl)methyl)-, (Z)-2-butenedioate (1:1)
Property Insights of Piperazine, 1-((2-(methylthio)phenyl)methyl)-, (Z)-2-butenedioate (1:1)
The XLogP value of 1.5255 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piperazine, 1-((2-(methylthio)phenyl)methyl)-, (Z)-2-butenedioate (1:1). The TPSA of 89.87 Ų falls within the moderate polarity range, balancing permeability and solubility for Piperazine, 1-((2-(methylthio)phenyl)methyl)-, (Z)-2-butenedioate (1:1). Following Lipinski's Rule of Five, Piperazine, 1-((2-(methylthio)phenyl)methyl)-, (Z)-2-butenedioate (1:1) has 3 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-((2-(methylthio)phenyl)methyl)-, (Z)-2-butenedioate (1:1)?
The CAS number of Piperazine, 1-((2-(methylthio)phenyl)methyl)-, (Z)-2-butenedioate (1:1) is 59083-70-4.
What is the molecular formula of Piperazine, 1-((2-(methylthio)phenyl)methyl)-, (Z)-2-butenedioate (1:1)?
The molecular formula of Piperazine, 1-((2-(methylthio)phenyl)methyl)-, (Z)-2-butenedioate (1:1) is C16H22N2O4S.
What is the molecular weight of Piperazine, 1-((2-(methylthio)phenyl)methyl)-, (Z)-2-butenedioate (1:1)?
The molecular weight of Piperazine, 1-((2-(methylthio)phenyl)methyl)-, (Z)-2-butenedioate (1:1) is 338.13 g/mol.
Where can I buy Piperazine, 1-((2-(methylthio)phenyl)methyl)-, (Z)-2-butenedioate (1:1)?
You can request a quote for Piperazine, 1-((2-(methylthio)phenyl)methyl)-, (Z)-2-butenedioate (1:1) 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-(methylthio)phenyl)methyl)-, (Z)-2-butenedioate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Piperazine, 1-((2-(methylthio)phenyl)methyl)-, (Z)-2-butenedioate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.