1-(3-(dimethylamino)propyl)-4-(4-ethoxybenzoyl)-3-hydroxy-5-(3-methoxy-4-propoxyphenyl)-1H-pyrrol-2(5H)-one
TL;DR: 1-(3-(dimethylamino)propyl)-4-(4-ethoxybenzoyl)-3-hydroxy-5-(3-methoxy-4-propoxyphenyl)-1H-pyrrol-2(5H)-one (CAS 636989-41-8) is a chemical compound with molecular formula C28H36N2O6 and molecular weight 496.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-1-[3-(dimethylamino)propyl]-4-[(4-ethoxyphenyl)-hydroxymethylidene]-5-(3-methoxy-4-propoxyphenyl)pyrrolidine-2,3-dione
Also Known As: 1-(3-(dimethylamino)propyl)-4-(4-ethoxybenzoyl)-3-hydroxy-5-(3-methoxy-4-propoxyphenyl)-1H-pyrrol-2(5H)-one, (4E)-1-[3-(dimethylamino)propyl]-4-[(4-ethoxyphenyl)-hydroxymethylidene]-5-(3-methoxy-4-propoxyphenyl)pyrrolidine-2,3-dione, 1-[3-(dimethylamino)propyl]-4-[(4-ethoxyphenyl)carbonyl]-3-hydroxy-5-(3-methox y-4-propoxyphenyl)-3-pyrrolin-2-one
| Molecular Formula | C28H36N2O6 |
|---|---|
| Molecular Weight | 496.26 g/mol |
| LogP | 4.2561 |
| Topological Polar Surface Area | 88.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 496.25732 |
| Heavy Atoms | 36 |
| Complexity | 1093.7188 |
Chemical Identifiers
| CAS Number | 636989-41-8 |
|---|---|
| SMILES | CCCOC1=C(C=C(C=C1)C2/C(=C(/C3=CC=C(C=C3)OCC)\O)/C(=O)C(=O)N2CCCN(C)C)OC |
Product Overview
1-(3-(dimethylamino)propyl)-4-(4-ethoxybenzoyl)-3-hydroxy-5-(3-methoxy-4-propoxyphenyl)-1H-pyrrol-2(5H)-one (CAS 636989-41-8), with molecular formula C28H36N2O6 and molecular weight 496.26 g/mol. IUPAC: (4E)-1-[3-(dimethylamino)propyl]-4-[(4-ethoxyphenyl)-hydroxymethylidene]-5-(3-methoxy-4-propoxyphenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of 1-(3-(dimethylamino)propyl)-4-(4-ethoxybenzoyl)-3-hydroxy-5-(3-methoxy-4-propoxyphenyl)-1H-pyrrol-2(5H)-one
Property Insights of 1-(3-(dimethylamino)propyl)-4-(4-ethoxybenzoyl)-3-hydroxy-5-(3-methoxy-4-propoxyphenyl)-1H-pyrrol-2(5H)-one
The XLogP value of 4.2561 indicates that 1-(3-(dimethylamino)propyl)-4-(4-ethoxybenzoyl)-3-hydroxy-5-(3-methoxy-4-propoxyphenyl)-1H-pyrrol-2(5H)-one 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 1-(3-(dimethylamino)propyl)-4-(4-ethoxybenzoyl)-3-hydroxy-5-(3-methoxy-4-propoxyphenyl)-1H-pyrrol-2(5H)-one. Following Lipinski's Rule of Five, 1-(3-(dimethylamino)propyl)-4-(4-ethoxybenzoyl)-3-hydroxy-5-(3-methoxy-4-propoxyphenyl)-1H-pyrrol-2(5H)-one 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 1-(3-(dimethylamino)propyl)-4-(4-ethoxybenzoyl)-3-hydroxy-5-(3-methoxy-4-propoxyphenyl)-1H-pyrrol-2(5H)-one?
The CAS number of 1-(3-(dimethylamino)propyl)-4-(4-ethoxybenzoyl)-3-hydroxy-5-(3-methoxy-4-propoxyphenyl)-1H-pyrrol-2(5H)-one is 636989-41-8.
What is the molecular formula of 1-(3-(dimethylamino)propyl)-4-(4-ethoxybenzoyl)-3-hydroxy-5-(3-methoxy-4-propoxyphenyl)-1H-pyrrol-2(5H)-one?
The molecular formula of 1-(3-(dimethylamino)propyl)-4-(4-ethoxybenzoyl)-3-hydroxy-5-(3-methoxy-4-propoxyphenyl)-1H-pyrrol-2(5H)-one is C28H36N2O6.
What is the molecular weight of 1-(3-(dimethylamino)propyl)-4-(4-ethoxybenzoyl)-3-hydroxy-5-(3-methoxy-4-propoxyphenyl)-1H-pyrrol-2(5H)-one?
The molecular weight of 1-(3-(dimethylamino)propyl)-4-(4-ethoxybenzoyl)-3-hydroxy-5-(3-methoxy-4-propoxyphenyl)-1H-pyrrol-2(5H)-one is 496.26 g/mol.
Where can I buy 1-(3-(dimethylamino)propyl)-4-(4-ethoxybenzoyl)-3-hydroxy-5-(3-methoxy-4-propoxyphenyl)-1H-pyrrol-2(5H)-one?
You can request a quote for 1-(3-(dimethylamino)propyl)-4-(4-ethoxybenzoyl)-3-hydroxy-5-(3-methoxy-4-propoxyphenyl)-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-(3-(dimethylamino)propyl)-4-(4-ethoxybenzoyl)-3-hydroxy-5-(3-methoxy-4-propoxyphenyl)-1H-pyrrol-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-(dimethylamino)propyl)-4-(4-ethoxybenzoyl)-3-hydroxy-5-(3-methoxy-4-propoxyphenyl)-1H-pyrrol-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.