RefChem:1084544
TL;DR: RefChem:1084544 (CAS 85689-79-8) is a chemical compound with molecular formula C26H34N2O9 and molecular weight 518.23 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)ethanone
Also Known As: 4-Cyclopentylphenyl 4'-methylpiperazinomethyl ketone bis(hydrogen maleate), 1-(4-Cyclopentylphenyl)-2-(4-methyl-1-piperazinyl)ethanone (Z)-2-butenedioate (1:2), Ethanone, 1-(4-cyclopentylphenyl)-2-(4-methyl-1-piperazinyl)-, (Z)-2-butenedioate (1:2), (Z)-but-2-enedioic acid; 1-(4-cyclopentylphenyl)-2-(4-methylpiperazin-1-yl)ethanone, RefChem:1084544
| Molecular Formula | C26H34N2O9 |
|---|---|
| Molecular Weight | 518.23 g/mol |
| LogP | 2.1979 |
| Topological Polar Surface Area | 172.75 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 518.22644 |
| Heavy Atoms | 37 |
| Complexity | 906.2664 |
Chemical Identifiers
| CAS Number | 85689-79-8 |
|---|---|
| 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:1084544 (CAS 85689-79-8), with molecular formula C26H34N2O9 and molecular weight 518.23 g/mol. IUPAC: bis((Z)-but-2-enedioic acid);1-(4-cyclopentylphenyl)-2-(4-methylpiperazin-1-yl)ethanone.
Chemical Property Profile of RefChem:1084544
Property Insights of RefChem:1084544
The XLogP value of 2.1979 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1084544. The TPSA of 172.75 Ų indicates high polarity, suggesting RefChem:1084544 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1084544 has 4 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:1084544?
The CAS number of RefChem:1084544 is 85689-79-8.
What is the molecular formula of RefChem:1084544?
The molecular formula of RefChem:1084544 is C26H34N2O9.
What is the molecular weight of RefChem:1084544?
The molecular weight of RefChem:1084544 is 518.23 g/mol.
Where can I buy RefChem:1084544?
You can request a quote for RefChem:1084544 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1084544?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1084544 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.