RefChem:1056611
TL;DR: RefChem:1056611 (CAS 85689-80-1) is a chemical compound with molecular formula C26H36N2O9 and molecular weight 520.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((Z)-but-2-enedioic acid);1-(4-cyclopentylphenyl)-2-(4-methylpiperazin-1-yl)ethanol
Also Known As: alpha-(4-Cyclopentylphenyl)-4-methyl-1-piperazineethanol (Z)-2-butenedioate (1:2), 1-Piperazineethanol, alpha-(4-cyclopentylphenyl)-4-methyl-, (Z)-2-butenedioate (1:2), 1-(4-Cyclopentylphenyl)-2-(4-methylpiperazino)ethanol bis(hydrogen maleate), (Z)-but-2-enedioic acid; 1-(4-cyclopentylphenyl)-2-(4-methylpiperazin-1-yl)ethanol, RefChem:1056611
| Molecular Formula | C26H36N2O9 |
|---|---|
| Molecular Weight | 520.24 g/mol |
| LogP | 2.0486 |
| Topological Polar Surface Area | 175.91 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 520.24207 |
| Heavy Atoms | 37 |
| Complexity | 863.87067 |
Chemical Identifiers
| CAS Number | 85689-80-1 |
|---|---|
| SMILES | CN1CCN(CC1)CC(O)C2=CC=C(C=C2)C3CCCC3.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O |
Product Overview
RefChem:1056611 (CAS 85689-80-1), with molecular formula C26H36N2O9 and molecular weight 520.24 g/mol. IUPAC: bis((Z)-but-2-enedioic acid);1-(4-cyclopentylphenyl)-2-(4-methylpiperazin-1-yl)ethanol.
Chemical Property Profile of RefChem:1056611
Property Insights of RefChem:1056611
The XLogP value of 2.0486 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1056611. The TPSA of 175.91 Ų indicates high polarity, suggesting RefChem:1056611 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1056611 has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1056611?
The CAS number of RefChem:1056611 is 85689-80-1.
What is the molecular formula of RefChem:1056611?
The molecular formula of RefChem:1056611 is C26H36N2O9.
What is the molecular weight of RefChem:1056611?
The molecular weight of RefChem:1056611 is 520.24 g/mol.
Where can I buy RefChem:1056611?
You can request a quote for RefChem:1056611 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056611?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056611 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.