Piperazine, 1-methyl-4-(2-naphthalenyl)-, (Z)-2-butenedioate (1:1)
TL;DR: Piperazine, 1-methyl-4-(2-naphthalenyl)-, (Z)-2-butenedioate (1:1) (CAS 57537-03-8) is a chemical compound with molecular formula C19H22N2O4 and molecular weight 342.16 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-naphthalen-2-ylpiperazine
Also Known As: 1-Methyl-4-(2-naphthalenyl)piperazine (Z)-2-butenedioate, Piperazine, 1-methyl-4-(2-naphthalenyl)-, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 1-methyl-4-naphthalen-2-ylpiperazine, RefChem:1096027
| Molecular Formula | C19H22N2O4 |
|---|---|
| Molecular Weight | 342.16 g/mol |
| LogP | 2.3034 |
| Topological Polar Surface Area | 81.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 342.15796 |
| Heavy Atoms | 25 |
| Complexity | 748.8631 |
Chemical Identifiers
| CAS Number | 57537-03-8 |
|---|---|
| SMILES | CN1CCN(CC1)C2=CC3=CC=CC=C3C=C2.C(=C/C(=O)O)\C(=O)O |
Product Overview
Piperazine, 1-methyl-4-(2-naphthalenyl)-, (Z)-2-butenedioate (1:1) (CAS 57537-03-8), with molecular formula C19H22N2O4 and molecular weight 342.16 g/mol. IUPAC: (E)-but-2-enedioic acid;1-methyl-4-naphthalen-2-ylpiperazine.
Chemical Property Profile of Piperazine, 1-methyl-4-(2-naphthalenyl)-, (Z)-2-butenedioate (1:1)
Property Insights of Piperazine, 1-methyl-4-(2-naphthalenyl)-, (Z)-2-butenedioate (1:1)
The XLogP value of 2.3034 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piperazine, 1-methyl-4-(2-naphthalenyl)-, (Z)-2-butenedioate (1:1). The TPSA of 81.08 Ų falls within the moderate polarity range, balancing permeability and solubility for Piperazine, 1-methyl-4-(2-naphthalenyl)-, (Z)-2-butenedioate (1:1). Following Lipinski's Rule of Five, Piperazine, 1-methyl-4-(2-naphthalenyl)-, (Z)-2-butenedioate (1:1) has 2 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 Piperazine, 1-methyl-4-(2-naphthalenyl)-, (Z)-2-butenedioate (1:1)?
The CAS number of Piperazine, 1-methyl-4-(2-naphthalenyl)-, (Z)-2-butenedioate (1:1) is 57537-03-8.
What is the molecular formula of Piperazine, 1-methyl-4-(2-naphthalenyl)-, (Z)-2-butenedioate (1:1)?
The molecular formula of Piperazine, 1-methyl-4-(2-naphthalenyl)-, (Z)-2-butenedioate (1:1) is C19H22N2O4.
What is the molecular weight of Piperazine, 1-methyl-4-(2-naphthalenyl)-, (Z)-2-butenedioate (1:1)?
The molecular weight of Piperazine, 1-methyl-4-(2-naphthalenyl)-, (Z)-2-butenedioate (1:1) is 342.16 g/mol.
Where can I buy Piperazine, 1-methyl-4-(2-naphthalenyl)-, (Z)-2-butenedioate (1:1)?
You can request a quote for Piperazine, 1-methyl-4-(2-naphthalenyl)-, (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-naphthalenyl)-, (Z)-2-butenedioate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Piperazine, 1-methyl-4-(2-naphthalenyl)-, (Z)-2-butenedioate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.