bis((2E)-but-2-enedioic acid); 1-benzyl-3-methylpiperazine
TL;DR: bis((2E)-but-2-enedioic acid); 1-benzyl-3-methylpiperazine (CAS 290313-44-9) 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.
1-benzyl-3-methylpiperazine;bis(but-2-enedioic acid)
Also Known As: 1-benzyl-3-methylpiperazine difumarate, 1-BENZYL-3-METHYL-PIPERAZINE MONOFUMARATE, 1-benzyl-3-methylpiperazine; bis(butenedioic acid), bis((2E)-but-2-enedioic acid); 1-benzyl-3-methylpiperazine
| Molecular Formula | C20H26N2O8 |
|---|---|
| Molecular Weight | 422.17 g/mol |
| LogP | 0.9039 |
| 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 | 680.43317 |
Chemical Identifiers
| CAS Number | 290313-44-9 |
|---|---|
| SMILES | CC1CN(CCN1)CC2=CC=CC=C2.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O |
Product Overview
bis((2E)-but-2-enedioic acid); 1-benzyl-3-methylpiperazine (CAS 290313-44-9), with molecular formula C20H26N2O8 and molecular weight 422.17 g/mol. IUPAC: 1-benzyl-3-methylpiperazine;bis(but-2-enedioic acid).
Chemical Property Profile of bis((2E)-but-2-enedioic acid); 1-benzyl-3-methylpiperazine
Property Insights of bis((2E)-but-2-enedioic acid); 1-benzyl-3-methylpiperazine
The XLogP value of 0.9039 suggests moderate lipophilicity, balancing water solubility and membrane permeability for bis((2E)-but-2-enedioic acid); 1-benzyl-3-methylpiperazine. The TPSA of 164.47 Ų indicates high polarity, suggesting bis((2E)-but-2-enedioic acid); 1-benzyl-3-methylpiperazine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, bis((2E)-but-2-enedioic acid); 1-benzyl-3-methylpiperazine 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 bis((2E)-but-2-enedioic acid); 1-benzyl-3-methylpiperazine?
The CAS number of bis((2E)-but-2-enedioic acid); 1-benzyl-3-methylpiperazine is 290313-44-9.
What is the molecular formula of bis((2E)-but-2-enedioic acid); 1-benzyl-3-methylpiperazine?
The molecular formula of bis((2E)-but-2-enedioic acid); 1-benzyl-3-methylpiperazine is C20H26N2O8.
What is the molecular weight of bis((2E)-but-2-enedioic acid); 1-benzyl-3-methylpiperazine?
The molecular weight of bis((2E)-but-2-enedioic acid); 1-benzyl-3-methylpiperazine is 422.17 g/mol.
Where can I buy bis((2E)-but-2-enedioic acid); 1-benzyl-3-methylpiperazine?
You can request a quote for bis((2E)-but-2-enedioic acid); 1-benzyl-3-methylpiperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for bis((2E)-but-2-enedioic acid); 1-benzyl-3-methylpiperazine?
Yes, KEHONG BIO provides custom synthesis services for bis((2E)-but-2-enedioic acid); 1-benzyl-3-methylpiperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.