![4-(4-butoxy-3-methylbenzoyl)-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-hydroxyphenyl)-2,5-dihydro-1H-pyrrol-2-one structure](/static/products/4967/496796-68-0.webp)
4-(4-butoxy-3-methylbenzoyl)-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-hydroxyphenyl)-2,5-dihydro-1H-pyrrol-2-one
TL;DR: 4-(4-butoxy-3-methylbenzoyl)-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-hydroxyphenyl)-2,5-dihydro-1H-pyrrol-2-one (CAS 496796-68-0) is a chemical compound with molecular formula C26H32N2O5 and molecular weight 452.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-butoxy-3-methylphenyl)-hydroxymethylidene]-1-[2-(dimethylamino)ethyl]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione
Also Known As: 4-(4-butoxy-3-methylbenzoyl)-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-hydroxyphenyl)-2,5-dihydro-1H-pyrrol-2-one, 4-[(4-butoxy-3-methylphenyl)-hydroxymethylidene]-1-(2-dimethylaminoethyl)-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione
| Molecular Formula | C26H32N2O5 |
|---|---|
| Molecular Weight | 452.23 g/mol |
| LogP | 3.86282 |
| Topological Polar Surface Area | 90.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 452.2311 |
| Heavy Atoms | 33 |
| Complexity | 1043.1478 |
Chemical Identifiers
| CAS Number | 496796-68-0 |
|---|---|
| SMILES | CCCCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCN(C)C)C3=CC=C(C=C3)O)O)C |
Product Overview
4-(4-butoxy-3-methylbenzoyl)-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-hydroxyphenyl)-2,5-dihydro-1H-pyrrol-2-one (CAS 496796-68-0), with molecular formula C26H32N2O5 and molecular weight 452.23 g/mol. IUPAC: 4-[(4-butoxy-3-methylphenyl)-hydroxymethylidene]-1-[2-(dimethylamino)ethyl]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of 4-(4-butoxy-3-methylbenzoyl)-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-hydroxyphenyl)-2,5-dihydro-1H-pyrrol-2-one
Property Insights of 4-(4-butoxy-3-methylbenzoyl)-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-hydroxyphenyl)-2,5-dihydro-1H-pyrrol-2-one
The XLogP value of 3.86282 indicates that 4-(4-butoxy-3-methylbenzoyl)-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-hydroxyphenyl)-2,5-dihydro-1H-pyrrol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-butoxy-3-methylbenzoyl)-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-hydroxyphenyl)-2,5-dihydro-1H-pyrrol-2-one. Following Lipinski's Rule of Five, 4-(4-butoxy-3-methylbenzoyl)-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-hydroxyphenyl)-2,5-dihydro-1H-pyrrol-2-one has 2 hydrogen bond donor(s) and 6 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 4-(4-butoxy-3-methylbenzoyl)-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-hydroxyphenyl)-2,5-dihydro-1H-pyrrol-2-one?
The CAS number of 4-(4-butoxy-3-methylbenzoyl)-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-hydroxyphenyl)-2,5-dihydro-1H-pyrrol-2-one is 496796-68-0.
What is the molecular formula of 4-(4-butoxy-3-methylbenzoyl)-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-hydroxyphenyl)-2,5-dihydro-1H-pyrrol-2-one?
The molecular formula of 4-(4-butoxy-3-methylbenzoyl)-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-hydroxyphenyl)-2,5-dihydro-1H-pyrrol-2-one is C26H32N2O5.
What is the molecular weight of 4-(4-butoxy-3-methylbenzoyl)-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-hydroxyphenyl)-2,5-dihydro-1H-pyrrol-2-one?
The molecular weight of 4-(4-butoxy-3-methylbenzoyl)-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-hydroxyphenyl)-2,5-dihydro-1H-pyrrol-2-one is 452.23 g/mol.
Where can I buy 4-(4-butoxy-3-methylbenzoyl)-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-hydroxyphenyl)-2,5-dihydro-1H-pyrrol-2-one?
You can request a quote for 4-(4-butoxy-3-methylbenzoyl)-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-hydroxyphenyl)-2,5-dihydro-1H-pyrrol-2-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]-3-hydroxy-5-(4-hydroxyphenyl)-2,5-dihydro-1H-pyrrol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-butoxy-3-methylbenzoyl)-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-hydroxyphenyl)-2,5-dihydro-1H-pyrrol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.