Piperazine, 1-methyl-4-((2-(phenylthio)phenyl)methyl)-, (Z)-2-butenedioate (1:1)
TL;DR: Piperazine, 1-methyl-4-((2-(phenylthio)phenyl)methyl)-, (Z)-2-butenedioate (1:1) (CAS 37652-48-5) is a chemical compound with molecular formula C22H26N2O4S and molecular weight 414.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;1-methyl-4-[(2-phenylsulfanylphenyl)methyl]piperazine
Also Known As: 1-Methyl-4-(2-(phenylthio)benzyl)piperazine maleate, 1-Methyl-4-((2-(phenylthio)phenyl)methyl)piperazine (Z)-2-butenedioate (1:1), Piperazine, 1-methyl-4-((2-(phenylthio)phenyl)methyl)-, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 1-methyl-4-[(2-phenylsulfanylphenyl)methyl]piperazine, RefChem:1096014
| Molecular Formula | C22H26N2O4S |
|---|---|
| Molecular Weight | 414.16 g/mol |
| LogP | 3.297 |
| Topological Polar Surface Area | 81.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.16132 |
| Heavy Atoms | 29 |
| Complexity | 802.5718 |
Chemical Identifiers
| CAS Number | 37652-48-5 |
|---|---|
| SMILES | CN1CCN(CC1)CC2=CC=CC=C2SC3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O |
Product Overview
Piperazine, 1-methyl-4-((2-(phenylthio)phenyl)methyl)-, (Z)-2-butenedioate (1:1) (CAS 37652-48-5), with molecular formula C22H26N2O4S and molecular weight 414.16 g/mol. IUPAC: (E)-but-2-enedioic acid;1-methyl-4-[(2-phenylsulfanylphenyl)methyl]piperazine.
Chemical Property Profile of Piperazine, 1-methyl-4-((2-(phenylthio)phenyl)methyl)-, (Z)-2-butenedioate (1:1)
Property Insights of Piperazine, 1-methyl-4-((2-(phenylthio)phenyl)methyl)-, (Z)-2-butenedioate (1:1)
The XLogP value of 3.297 indicates that Piperazine, 1-methyl-4-((2-(phenylthio)phenyl)methyl)-, (Z)-2-butenedioate (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.08 Ų falls within the moderate polarity range, balancing permeability and solubility for Piperazine, 1-methyl-4-((2-(phenylthio)phenyl)methyl)-, (Z)-2-butenedioate (1:1). Following Lipinski's Rule of Five, Piperazine, 1-methyl-4-((2-(phenylthio)phenyl)methyl)-, (Z)-2-butenedioate (1:1) 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-methyl-4-((2-(phenylthio)phenyl)methyl)-, (Z)-2-butenedioate (1:1)?
The CAS number of Piperazine, 1-methyl-4-((2-(phenylthio)phenyl)methyl)-, (Z)-2-butenedioate (1:1) is 37652-48-5.
What is the molecular formula of Piperazine, 1-methyl-4-((2-(phenylthio)phenyl)methyl)-, (Z)-2-butenedioate (1:1)?
The molecular formula of Piperazine, 1-methyl-4-((2-(phenylthio)phenyl)methyl)-, (Z)-2-butenedioate (1:1) is C22H26N2O4S.
What is the molecular weight of Piperazine, 1-methyl-4-((2-(phenylthio)phenyl)methyl)-, (Z)-2-butenedioate (1:1)?
The molecular weight of Piperazine, 1-methyl-4-((2-(phenylthio)phenyl)methyl)-, (Z)-2-butenedioate (1:1) is 414.16 g/mol.
Where can I buy Piperazine, 1-methyl-4-((2-(phenylthio)phenyl)methyl)-, (Z)-2-butenedioate (1:1)?
You can request a quote for Piperazine, 1-methyl-4-((2-(phenylthio)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-methyl-4-((2-(phenylthio)phenyl)methyl)-, (Z)-2-butenedioate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Piperazine, 1-methyl-4-((2-(phenylthio)phenyl)methyl)-, (Z)-2-butenedioate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.