Ethanone, 1-(4-cyclopentylphenyl)-2-(4-morpholinyl)-, (Z)-2-butenedioate (1:1)
TL;DR: Ethanone, 1-(4-cyclopentylphenyl)-2-(4-morpholinyl)-, (Z)-2-butenedioate (1:1) (CAS 85689-93-6) is a chemical compound with molecular formula C21H27NO6 and molecular weight 389.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-cyclopentylphenyl)-2-morpholin-4-ium-4-ylethanone;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: 1-(4-Cyclopentylphenyl)-2-(4-morpholinyl)ethanone (Z)-2-butenedioate (1:1), ETHANONE, 1-(4-CYCLOPENTYLPHENYL)-2-(4-MORPHOLINYL)-, (Z)-2-BUTENEDIOATE (1:1), 1-(4-cyclopentylphenyl)-2-morpholin-4-ium-4-ylethanone; (Z)-4-hydroxy-4-oxobut-2-enoate, RefChem:1084545
| Molecular Formula | C21H27NO6 |
|---|---|
| Molecular Weight | 389.18 g/mol |
| LogP | -0.1809 |
| Topological Polar Surface Area | 108.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 389.18384 |
| Heavy Atoms | 28 |
| Complexity | 669.3523 |
Chemical Identifiers
| CAS Number | 85689-93-6 |
|---|---|
| SMILES | C1CCC(C1)C2=CC=C(C=C2)C(=O)C[NH+]3CCOCC3.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
Ethanone, 1-(4-cyclopentylphenyl)-2-(4-morpholinyl)-, (Z)-2-butenedioate (1:1) (CAS 85689-93-6), with molecular formula C21H27NO6 and molecular weight 389.18 g/mol. IUPAC: 1-(4-cyclopentylphenyl)-2-morpholin-4-ium-4-ylethanone;(Z)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of Ethanone, 1-(4-cyclopentylphenyl)-2-(4-morpholinyl)-, (Z)-2-butenedioate (1:1)
Property Insights of Ethanone, 1-(4-cyclopentylphenyl)-2-(4-morpholinyl)-, (Z)-2-butenedioate (1:1)
The XLogP value of -0.1809 indicates that Ethanone, 1-(4-cyclopentylphenyl)-2-(4-morpholinyl)-, (Z)-2-butenedioate (1:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 108.17 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanone, 1-(4-cyclopentylphenyl)-2-(4-morpholinyl)-, (Z)-2-butenedioate (1:1). Following Lipinski's Rule of Five, Ethanone, 1-(4-cyclopentylphenyl)-2-(4-morpholinyl)-, (Z)-2-butenedioate (1:1) has 2 hydrogen bond donor(s) and 5 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 Ethanone, 1-(4-cyclopentylphenyl)-2-(4-morpholinyl)-, (Z)-2-butenedioate (1:1)?
The CAS number of Ethanone, 1-(4-cyclopentylphenyl)-2-(4-morpholinyl)-, (Z)-2-butenedioate (1:1) is 85689-93-6.
What is the molecular formula of Ethanone, 1-(4-cyclopentylphenyl)-2-(4-morpholinyl)-, (Z)-2-butenedioate (1:1)?
The molecular formula of Ethanone, 1-(4-cyclopentylphenyl)-2-(4-morpholinyl)-, (Z)-2-butenedioate (1:1) is C21H27NO6.
What is the molecular weight of Ethanone, 1-(4-cyclopentylphenyl)-2-(4-morpholinyl)-, (Z)-2-butenedioate (1:1)?
The molecular weight of Ethanone, 1-(4-cyclopentylphenyl)-2-(4-morpholinyl)-, (Z)-2-butenedioate (1:1) is 389.18 g/mol.
Where can I buy Ethanone, 1-(4-cyclopentylphenyl)-2-(4-morpholinyl)-, (Z)-2-butenedioate (1:1)?
You can request a quote for Ethanone, 1-(4-cyclopentylphenyl)-2-(4-morpholinyl)-, (Z)-2-butenedioate (1:1) 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-morpholinyl)-, (Z)-2-butenedioate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 1-(4-cyclopentylphenyl)-2-(4-morpholinyl)-, (Z)-2-butenedioate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.