1-(2-(Diethylamino)ethyl)-4-(3,4-dimethoxybenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-1H-pyrrol-2(5H)-one
TL;DR: 1-(2-(Diethylamino)ethyl)-4-(3,4-dimethoxybenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-1H-pyrrol-2(5H)-one (CAS 618080-95-8) is a chemical compound with molecular formula C25H30N2O6 and molecular weight 454.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-1-[2-(diethylamino)ethyl]-4-[(3,4-dimethoxyphenyl)-hydroxymethylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione
Also Known As: 1-(2-(Diethylamino)ethyl)-4-(3,4-dimethoxybenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C25H30N2O6 |
|---|---|
| Molecular Weight | 454.21 g/mol |
| LogP | 3.1729 |
| Topological Polar Surface Area | 99.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 454.2104 |
| Heavy Atoms | 33 |
| Complexity | 1043.3627 |
Chemical Identifiers
| CAS Number | 618080-95-8 |
|---|---|
| SMILES | CCN(CC)CCN1C(/C(=C(/C2=CC(=C(C=C2)OC)OC)\O)/C(=O)C1=O)C3=CC=C(C=C3)O |
Product Overview
1-(2-(Diethylamino)ethyl)-4-(3,4-dimethoxybenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-1H-pyrrol-2(5H)-one (CAS 618080-95-8), with molecular formula C25H30N2O6 and molecular weight 454.21 g/mol. IUPAC: (4E)-1-[2-(diethylamino)ethyl]-4-[(3,4-dimethoxyphenyl)-hydroxymethylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of 1-(2-(Diethylamino)ethyl)-4-(3,4-dimethoxybenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-1H-pyrrol-2(5H)-one
Property Insights of 1-(2-(Diethylamino)ethyl)-4-(3,4-dimethoxybenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-1H-pyrrol-2(5H)-one
The XLogP value of 3.1729 indicates that 1-(2-(Diethylamino)ethyl)-4-(3,4-dimethoxybenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-1H-pyrrol-2(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-(Diethylamino)ethyl)-4-(3,4-dimethoxybenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-1H-pyrrol-2(5H)-one. Following Lipinski's Rule of Five, 1-(2-(Diethylamino)ethyl)-4-(3,4-dimethoxybenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-1H-pyrrol-2(5H)-one has 2 hydrogen bond donor(s) and 7 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 1-(2-(Diethylamino)ethyl)-4-(3,4-dimethoxybenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-1H-pyrrol-2(5H)-one?
The CAS number of 1-(2-(Diethylamino)ethyl)-4-(3,4-dimethoxybenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-1H-pyrrol-2(5H)-one is 618080-95-8.
What is the molecular formula of 1-(2-(Diethylamino)ethyl)-4-(3,4-dimethoxybenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-1H-pyrrol-2(5H)-one?
The molecular formula of 1-(2-(Diethylamino)ethyl)-4-(3,4-dimethoxybenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-1H-pyrrol-2(5H)-one is C25H30N2O6.
What is the molecular weight of 1-(2-(Diethylamino)ethyl)-4-(3,4-dimethoxybenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-1H-pyrrol-2(5H)-one?
The molecular weight of 1-(2-(Diethylamino)ethyl)-4-(3,4-dimethoxybenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-1H-pyrrol-2(5H)-one is 454.21 g/mol.
Where can I buy 1-(2-(Diethylamino)ethyl)-4-(3,4-dimethoxybenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-1H-pyrrol-2(5H)-one?
You can request a quote for 1-(2-(Diethylamino)ethyl)-4-(3,4-dimethoxybenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-1H-pyrrol-2(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-(Diethylamino)ethyl)-4-(3,4-dimethoxybenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-1H-pyrrol-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-(Diethylamino)ethyl)-4-(3,4-dimethoxybenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-1H-pyrrol-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.