Piperazine, 1-((4-methylphenyl)methyl)-, (Z)-2-butenedioate (1:2)
TL;DR: Piperazine, 1-((4-methylphenyl)methyl)-, (Z)-2-butenedioate (1:2) (CAS 59083-66-8) is a chemical compound with molecular formula C20H26N2O8 and molecular weight 422.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((E)-but-2-enedioic acid);1-[(4-methylphenyl)methyl]piperazine
Also Known As: 1-((4-Methylphenyl)methyl)piperazine (Z)-2-butenedioate (1:2), Piperazine, 1-((4-methylphenyl)methyl)-, (Z)-2-butenedioate (1:2), (E)-but-2-enedioic acid; 1-[(4-methylphenyl)methyl]piperazine, RefChem:1095677
| Molecular Formula | C20H26N2O8 |
|---|---|
| Molecular Weight | 422.17 g/mol |
| LogP | 0.82382 |
| Topological Polar Surface Area | 164.47 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 422.1689 |
| Heavy Atoms | 30 |
| Complexity | 684.5749 |
Chemical Identifiers
| CAS Number | 59083-66-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2CCNCC2.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
Piperazine, 1-((4-methylphenyl)methyl)-, (Z)-2-butenedioate (1:2) (CAS 59083-66-8), with molecular formula C20H26N2O8 and molecular weight 422.17 g/mol. IUPAC: bis((E)-but-2-enedioic acid);1-[(4-methylphenyl)methyl]piperazine.
Chemical Property Profile of Piperazine, 1-((4-methylphenyl)methyl)-, (Z)-2-butenedioate (1:2)
Property Insights of Piperazine, 1-((4-methylphenyl)methyl)-, (Z)-2-butenedioate (1:2)
The XLogP value of 0.82382 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piperazine, 1-((4-methylphenyl)methyl)-, (Z)-2-butenedioate (1:2). The TPSA of 164.47 Ų indicates high polarity, suggesting Piperazine, 1-((4-methylphenyl)methyl)-, (Z)-2-butenedioate (1:2) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Piperazine, 1-((4-methylphenyl)methyl)-, (Z)-2-butenedioate (1:2) has 5 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-((4-methylphenyl)methyl)-, (Z)-2-butenedioate (1:2)?
The CAS number of Piperazine, 1-((4-methylphenyl)methyl)-, (Z)-2-butenedioate (1:2) is 59083-66-8.
What is the molecular formula of Piperazine, 1-((4-methylphenyl)methyl)-, (Z)-2-butenedioate (1:2)?
The molecular formula of Piperazine, 1-((4-methylphenyl)methyl)-, (Z)-2-butenedioate (1:2) is C20H26N2O8.
What is the molecular weight of Piperazine, 1-((4-methylphenyl)methyl)-, (Z)-2-butenedioate (1:2)?
The molecular weight of Piperazine, 1-((4-methylphenyl)methyl)-, (Z)-2-butenedioate (1:2) is 422.17 g/mol.
Where can I buy Piperazine, 1-((4-methylphenyl)methyl)-, (Z)-2-butenedioate (1:2)?
You can request a quote for Piperazine, 1-((4-methylphenyl)methyl)-, (Z)-2-butenedioate (1:2) 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-methylphenyl)methyl)-, (Z)-2-butenedioate (1:2)?
Yes, KEHONG BIO provides custom synthesis services for Piperazine, 1-((4-methylphenyl)methyl)-, (Z)-2-butenedioate (1:2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.