4-(4-Butoxy-3-methylbenzoyl)-1-(2-(dimethylamino)ethyl)-5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-one
TL;DR: 4-(4-Butoxy-3-methylbenzoyl)-1-(2-(dimethylamino)ethyl)-5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-one (CAS 487039-63-4) is a chemical compound with molecular formula C29H38N2O6 and molecular weight 510.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(4-butoxy-3-methylphenyl)-hydroxymethylidene]-1-[2-(dimethylamino)ethyl]-5-(4-ethoxy-3-methoxyphenyl)pyrrolidine-2,3-dione
Also Known As: 4-(4-Butoxy-3-methylbenzoyl)-1-(2-(dimethylamino)ethyl)-5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-one, (4E)-4-[(4-butoxy-3-methylphenyl)-hydroxymethylidene]-1-(2-dimethylaminoethyl)-5-(4-ethoxy-3-methoxyphenyl)pyrrolidine-2,3-dione, 4-(4-BUTOXY-3-METHYLBENZOYL)-1-(2-(DIMETHYLAMINO)ETHYL)-5-(4-ETHOXY-3-METHOXYPHENYL)-3-HYDROXY-1,5-DIHYDRO-2H-PYRROL-2-ONE, 4-(4-BUTOXY-3-METHYLBENZOYL)-1-[2-(DIMETHYLAMINO)ETHYL]-5-(4-ETHOXY-3-METHOXYPHENYL)-3-HYDROXY-1,5-DIHYDRO-2H-PYRROL-2-ONE, 637-787-0
| Molecular Formula | C29H38N2O6 |
|---|---|
| Molecular Weight | 510.27 g/mol |
| LogP | 4.56452 |
| Topological Polar Surface Area | 88.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 510.27298 |
| Heavy Atoms | 37 |
| Complexity | 1157.081 |
Chemical Identifiers
| CAS Number | 487039-63-4 |
|---|---|
| SMILES | CCCCOC1=C(C=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCN(C)C)C3=CC(=C(C=C3)OCC)OC)/O)C |
Product Overview
4-(4-Butoxy-3-methylbenzoyl)-1-(2-(dimethylamino)ethyl)-5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-one (CAS 487039-63-4), with molecular formula C29H38N2O6 and molecular weight 510.27 g/mol. IUPAC: (4E)-4-[(4-butoxy-3-methylphenyl)-hydroxymethylidene]-1-[2-(dimethylamino)ethyl]-5-(4-ethoxy-3-methoxyphenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of 4-(4-Butoxy-3-methylbenzoyl)-1-(2-(dimethylamino)ethyl)-5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-one
Property Insights of 4-(4-Butoxy-3-methylbenzoyl)-1-(2-(dimethylamino)ethyl)-5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-one
The XLogP value of 4.56452 indicates that 4-(4-Butoxy-3-methylbenzoyl)-1-(2-(dimethylamino)ethyl)-5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-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 4-(4-Butoxy-3-methylbenzoyl)-1-(2-(dimethylamino)ethyl)-5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-one. Following Lipinski's Rule of Five, 4-(4-Butoxy-3-methylbenzoyl)-1-(2-(dimethylamino)ethyl)-5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-one has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(4-Butoxy-3-methylbenzoyl)-1-(2-(dimethylamino)ethyl)-5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-one?
The CAS number of 4-(4-Butoxy-3-methylbenzoyl)-1-(2-(dimethylamino)ethyl)-5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-one is 487039-63-4.
What is the molecular formula of 4-(4-Butoxy-3-methylbenzoyl)-1-(2-(dimethylamino)ethyl)-5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-one?
The molecular formula of 4-(4-Butoxy-3-methylbenzoyl)-1-(2-(dimethylamino)ethyl)-5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-one is C29H38N2O6.
What is the molecular weight of 4-(4-Butoxy-3-methylbenzoyl)-1-(2-(dimethylamino)ethyl)-5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-one?
The molecular weight of 4-(4-Butoxy-3-methylbenzoyl)-1-(2-(dimethylamino)ethyl)-5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-one is 510.27 g/mol.
Where can I buy 4-(4-Butoxy-3-methylbenzoyl)-1-(2-(dimethylamino)ethyl)-5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-one?
You can request a quote for 4-(4-Butoxy-3-methylbenzoyl)-1-(2-(dimethylamino)ethyl)-5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-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 4-(4-Butoxy-3-methylbenzoyl)-1-(2-(dimethylamino)ethyl)-5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Butoxy-3-methylbenzoyl)-1-(2-(dimethylamino)ethyl)-5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.