![(4E)-4-[(4-butoxyphenyl)-hydroxymethylidene]-5-(3,4-dimethoxyphenyl)-1-(2-dimethylaminoethyl)pyrrolidine-2,3-dione structure](/static/products/844/844446-91-9.png)
(4E)-4-[(4-butoxyphenyl)-hydroxymethylidene]-5-(3,4-dimethoxyphenyl)-1-(2-dimethylaminoethyl)pyrrolidine-2,3-dione
TL;DR: (4E)-4-[(4-butoxyphenyl)-hydroxymethylidene]-5-(3,4-dimethoxyphenyl)-1-(2-dimethylaminoethyl)pyrrolidine-2,3-dione (CAS 844446-91-9) is a chemical compound with molecular formula C27H34N2O6 and molecular weight 482.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(4-butoxyphenyl)-hydroxymethylidene]-5-(3,4-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]pyrrolidine-2,3-dione
Also Known As: (4E)-4-[(4-butoxyphenyl)-hydroxymethylidene]-5-(3,4-dimethoxyphenyl)-1-(2-dimethylaminoethyl)pyrrolidine-2,3-dione, 4-(4-butoxybenzoyl)-5-(3,4-dimethoxyphenyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-1H-pyrrol-2(5H)-one
| Molecular Formula | C27H34N2O6 |
|---|---|
| Molecular Weight | 482.24 g/mol |
| LogP | 3.866 |
| Topological Polar Surface Area | 88.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 482.2417 |
| Heavy Atoms | 35 |
| Complexity | 1077.5791 |
Chemical Identifiers
| CAS Number | 844446-91-9 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCN(C)C)C3=CC(=C(C=C3)OC)OC)/O |
Product Overview
(4E)-4-[(4-butoxyphenyl)-hydroxymethylidene]-5-(3,4-dimethoxyphenyl)-1-(2-dimethylaminoethyl)pyrrolidine-2,3-dione (CAS 844446-91-9), with molecular formula C27H34N2O6 and molecular weight 482.24 g/mol. IUPAC: (4E)-4-[(4-butoxyphenyl)-hydroxymethylidene]-5-(3,4-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]pyrrolidine-2,3-dione.
Chemical Property Profile of (4E)-4-[(4-butoxyphenyl)-hydroxymethylidene]-5-(3,4-dimethoxyphenyl)-1-(2-dimethylaminoethyl)pyrrolidine-2,3-dione
Property Insights of (4E)-4-[(4-butoxyphenyl)-hydroxymethylidene]-5-(3,4-dimethoxyphenyl)-1-(2-dimethylaminoethyl)pyrrolidine-2,3-dione
The XLogP value of 3.866 indicates that (4E)-4-[(4-butoxyphenyl)-hydroxymethylidene]-5-(3,4-dimethoxyphenyl)-1-(2-dimethylaminoethyl)pyrrolidine-2,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.54 Ų falls within the moderate polarity range, balancing permeability and solubility for (4E)-4-[(4-butoxyphenyl)-hydroxymethylidene]-5-(3,4-dimethoxyphenyl)-1-(2-dimethylaminoethyl)pyrrolidine-2,3-dione. Following Lipinski's Rule of Five, (4E)-4-[(4-butoxyphenyl)-hydroxymethylidene]-5-(3,4-dimethoxyphenyl)-1-(2-dimethylaminoethyl)pyrrolidine-2,3-dione has 1 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 (4E)-4-[(4-butoxyphenyl)-hydroxymethylidene]-5-(3,4-dimethoxyphenyl)-1-(2-dimethylaminoethyl)pyrrolidine-2,3-dione?
The CAS number of (4E)-4-[(4-butoxyphenyl)-hydroxymethylidene]-5-(3,4-dimethoxyphenyl)-1-(2-dimethylaminoethyl)pyrrolidine-2,3-dione is 844446-91-9.
What is the molecular formula of (4E)-4-[(4-butoxyphenyl)-hydroxymethylidene]-5-(3,4-dimethoxyphenyl)-1-(2-dimethylaminoethyl)pyrrolidine-2,3-dione?
The molecular formula of (4E)-4-[(4-butoxyphenyl)-hydroxymethylidene]-5-(3,4-dimethoxyphenyl)-1-(2-dimethylaminoethyl)pyrrolidine-2,3-dione is C27H34N2O6.
What is the molecular weight of (4E)-4-[(4-butoxyphenyl)-hydroxymethylidene]-5-(3,4-dimethoxyphenyl)-1-(2-dimethylaminoethyl)pyrrolidine-2,3-dione?
The molecular weight of (4E)-4-[(4-butoxyphenyl)-hydroxymethylidene]-5-(3,4-dimethoxyphenyl)-1-(2-dimethylaminoethyl)pyrrolidine-2,3-dione is 482.24 g/mol.
Where can I buy (4E)-4-[(4-butoxyphenyl)-hydroxymethylidene]-5-(3,4-dimethoxyphenyl)-1-(2-dimethylaminoethyl)pyrrolidine-2,3-dione?
You can request a quote for (4E)-4-[(4-butoxyphenyl)-hydroxymethylidene]-5-(3,4-dimethoxyphenyl)-1-(2-dimethylaminoethyl)pyrrolidine-2,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4E)-4-[(4-butoxyphenyl)-hydroxymethylidene]-5-(3,4-dimethoxyphenyl)-1-(2-dimethylaminoethyl)pyrrolidine-2,3-dione?
Yes, KEHONG BIO provides custom synthesis services for (4E)-4-[(4-butoxyphenyl)-hydroxymethylidene]-5-(3,4-dimethoxyphenyl)-1-(2-dimethylaminoethyl)pyrrolidine-2,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.