Ethanone, 1-(4-cyclopentylphenyl)-2-(4-(2-hydroxyethyl)-1-piperazinyl)-, (Z)-2-butenedioate (1:2)
TL;DR: Ethanone, 1-(4-cyclopentylphenyl)-2-(4-(2-hydroxyethyl)-1-piperazinyl)-, (Z)-2-butenedioate (1:2) (CAS 85689-94-7) is a chemical compound with molecular formula C27H36N2O10 and molecular weight 548.24 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-(2-hydroxyethyl)piperazin-1-yl]ethanone
Also Known As: Ethanone, 1-(4-cyclopentylphenyl)-2-(4-(2-hydroxyethyl)-1-piperazinyl)-, (Z)-2-butenedioate (1:2), 1-(4-Cyclopentylphenyl)-2-(4-(2-hydroxyethyl)-1-piperazinyl)ethanone (Z)-2-butenedioate (1:2), (Z)-but-2-enedioic acid; 1-(4-cyclopentylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone, RefChem:1084543
| Molecular Formula | C27H36N2O10 |
|---|---|
| Molecular Weight | 548.24 g/mol |
| LogP | 1.5604 |
| Topological Polar Surface Area | 192.98 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 548.237 |
| Heavy Atoms | 39 |
| Complexity | 939.89905 |
Chemical Identifiers
| CAS Number | 85689-94-7 |
|---|---|
| SMILES | C1CC(CC1)C2=CC=C(C=C2)C(=O)CN3CCN(CC3)CCO.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O |
Product Overview
Ethanone, 1-(4-cyclopentylphenyl)-2-(4-(2-hydroxyethyl)-1-piperazinyl)-, (Z)-2-butenedioate (1:2) (CAS 85689-94-7), with molecular formula C27H36N2O10 and molecular weight 548.24 g/mol. IUPAC: bis((Z)-but-2-enedioic acid);1-(4-cyclopentylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone.
Chemical Property Profile of Ethanone, 1-(4-cyclopentylphenyl)-2-(4-(2-hydroxyethyl)-1-piperazinyl)-, (Z)-2-butenedioate (1:2)
Property Insights of Ethanone, 1-(4-cyclopentylphenyl)-2-(4-(2-hydroxyethyl)-1-piperazinyl)-, (Z)-2-butenedioate (1:2)
The XLogP value of 1.5604 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanone, 1-(4-cyclopentylphenyl)-2-(4-(2-hydroxyethyl)-1-piperazinyl)-, (Z)-2-butenedioate (1:2). The TPSA of 192.98 Ų indicates high polarity, suggesting Ethanone, 1-(4-cyclopentylphenyl)-2-(4-(2-hydroxyethyl)-1-piperazinyl)-, (Z)-2-butenedioate (1:2) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ethanone, 1-(4-cyclopentylphenyl)-2-(4-(2-hydroxyethyl)-1-piperazinyl)-, (Z)-2-butenedioate (1:2) has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethanone, 1-(4-cyclopentylphenyl)-2-(4-(2-hydroxyethyl)-1-piperazinyl)-, (Z)-2-butenedioate (1:2)?
The CAS number of Ethanone, 1-(4-cyclopentylphenyl)-2-(4-(2-hydroxyethyl)-1-piperazinyl)-, (Z)-2-butenedioate (1:2) is 85689-94-7.
What is the molecular formula of Ethanone, 1-(4-cyclopentylphenyl)-2-(4-(2-hydroxyethyl)-1-piperazinyl)-, (Z)-2-butenedioate (1:2)?
The molecular formula of Ethanone, 1-(4-cyclopentylphenyl)-2-(4-(2-hydroxyethyl)-1-piperazinyl)-, (Z)-2-butenedioate (1:2) is C27H36N2O10.
What is the molecular weight of Ethanone, 1-(4-cyclopentylphenyl)-2-(4-(2-hydroxyethyl)-1-piperazinyl)-, (Z)-2-butenedioate (1:2)?
The molecular weight of Ethanone, 1-(4-cyclopentylphenyl)-2-(4-(2-hydroxyethyl)-1-piperazinyl)-, (Z)-2-butenedioate (1:2) is 548.24 g/mol.
Where can I buy Ethanone, 1-(4-cyclopentylphenyl)-2-(4-(2-hydroxyethyl)-1-piperazinyl)-, (Z)-2-butenedioate (1:2)?
You can request a quote for Ethanone, 1-(4-cyclopentylphenyl)-2-(4-(2-hydroxyethyl)-1-piperazinyl)-, (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 Ethanone, 1-(4-cyclopentylphenyl)-2-(4-(2-hydroxyethyl)-1-piperazinyl)-, (Z)-2-butenedioate (1:2)?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 1-(4-cyclopentylphenyl)-2-(4-(2-hydroxyethyl)-1-piperazinyl)-, (Z)-2-butenedioate (1:2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.