Ethanone, 1-(4-cyclopentylphenyl)-2-(diethylamino)-, (Z)-2-butenedioate (1:1)
TL;DR: Ethanone, 1-(4-cyclopentylphenyl)-2-(diethylamino)-, (Z)-2-butenedioate (1:1) (CAS 85689-85-6) is a chemical compound with molecular formula C21H29NO5 and molecular weight 375.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-cyclopentylphenyl)-2-oxoethyl]-diethylazanium;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: 1-(4-Cyclopentylphenyl)-2-(diethylamino)ethanone (Z)-2-butenedioate, ETHANONE, 1-(4-CYCLOPENTYLPHENYL)-2-(DIETHYLAMINO)-, (Z)-2-BUTENEDIOATE (1:1), [2-(4-cyclopentylphenyl)-2-oxoethyl]-diethylazanium; (Z)-4-hydroxy-4-oxobut-2-enoate, RefChem:1084546
| Molecular Formula | C21H29NO5 |
|---|---|
| Molecular Weight | 375.20 g/mol |
| LogP | 0.8287 |
| Topological Polar Surface Area | 98.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 375.20456 |
| Heavy Atoms | 27 |
| Complexity | 625.0408 |
Chemical Identifiers
| CAS Number | 85689-85-6 |
|---|---|
| SMILES | CC[NH+](CC)CC(=O)C1=CC=C(C=C1)C2CCCC2.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
Ethanone, 1-(4-cyclopentylphenyl)-2-(diethylamino)-, (Z)-2-butenedioate (1:1) (CAS 85689-85-6), with molecular formula C21H29NO5 and molecular weight 375.20 g/mol. IUPAC: [2-(4-cyclopentylphenyl)-2-oxoethyl]-diethylazanium;(Z)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of Ethanone, 1-(4-cyclopentylphenyl)-2-(diethylamino)-, (Z)-2-butenedioate (1:1)
Property Insights of Ethanone, 1-(4-cyclopentylphenyl)-2-(diethylamino)-, (Z)-2-butenedioate (1:1)
The XLogP value of 0.8287 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanone, 1-(4-cyclopentylphenyl)-2-(diethylamino)-, (Z)-2-butenedioate (1:1). The TPSA of 98.94 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanone, 1-(4-cyclopentylphenyl)-2-(diethylamino)-, (Z)-2-butenedioate (1:1). Following Lipinski's Rule of Five, Ethanone, 1-(4-cyclopentylphenyl)-2-(diethylamino)-, (Z)-2-butenedioate (1:1) has 2 hydrogen bond donor(s) and 4 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-(diethylamino)-, (Z)-2-butenedioate (1:1)?
The CAS number of Ethanone, 1-(4-cyclopentylphenyl)-2-(diethylamino)-, (Z)-2-butenedioate (1:1) is 85689-85-6.
What is the molecular formula of Ethanone, 1-(4-cyclopentylphenyl)-2-(diethylamino)-, (Z)-2-butenedioate (1:1)?
The molecular formula of Ethanone, 1-(4-cyclopentylphenyl)-2-(diethylamino)-, (Z)-2-butenedioate (1:1) is C21H29NO5.
What is the molecular weight of Ethanone, 1-(4-cyclopentylphenyl)-2-(diethylamino)-, (Z)-2-butenedioate (1:1)?
The molecular weight of Ethanone, 1-(4-cyclopentylphenyl)-2-(diethylamino)-, (Z)-2-butenedioate (1:1) is 375.20 g/mol.
Where can I buy Ethanone, 1-(4-cyclopentylphenyl)-2-(diethylamino)-, (Z)-2-butenedioate (1:1)?
You can request a quote for Ethanone, 1-(4-cyclopentylphenyl)-2-(diethylamino)-, (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-(diethylamino)-, (Z)-2-butenedioate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 1-(4-cyclopentylphenyl)-2-(diethylamino)-, (Z)-2-butenedioate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.