4-(4-butoxy-3-methylbenzoyl)-3-hydroxy-1-(3-methoxypropyl)-5-phenyl-1H-pyrrol-2(5H)-one
TL;DR: 4-(4-butoxy-3-methylbenzoyl)-3-hydroxy-1-(3-methoxypropyl)-5-phenyl-1H-pyrrol-2(5H)-one (CAS 489402-91-7) is a chemical compound with molecular formula C26H31NO5 and molecular weight 437.22 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-(3-methoxypropyl)-5-phenylpyrrolidine-2,3-dione
Also Known As: 4-(4-butoxy-3-methylbenzoyl)-3-hydroxy-1-(3-methoxypropyl)-5-phenyl-1H-pyrrol-2(5H)-one, (4E)-4-[(4-butoxy-3-methylphenyl)-hydroxymethylidene]-1-(3-methoxypropyl)-5-phenylpyrrolidine-2,3-dione, 4-[(4-butoxy-3-methylphenyl)carbonyl]-3-hydroxy-1-(3-methoxypropyl)-5-phenyl-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C26H31NO5 |
|---|---|
| Molecular Weight | 437.22 g/mol |
| LogP | 4.63212 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 437.2202 |
| Heavy Atoms | 32 |
| Complexity | 982.9667 |
Chemical Identifiers
| CAS Number | 489402-91-7 |
|---|---|
| SMILES | CCCCOC1=C(C=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCCOC)C3=CC=CC=C3)/O)C |
Product Overview
4-(4-butoxy-3-methylbenzoyl)-3-hydroxy-1-(3-methoxypropyl)-5-phenyl-1H-pyrrol-2(5H)-one (CAS 489402-91-7), with molecular formula C26H31NO5 and molecular weight 437.22 g/mol. IUPAC: (4E)-4-[(4-butoxy-3-methylphenyl)-hydroxymethylidene]-1-(3-methoxypropyl)-5-phenylpyrrolidine-2,3-dione.
Chemical Property Profile of 4-(4-butoxy-3-methylbenzoyl)-3-hydroxy-1-(3-methoxypropyl)-5-phenyl-1H-pyrrol-2(5H)-one
Property Insights of 4-(4-butoxy-3-methylbenzoyl)-3-hydroxy-1-(3-methoxypropyl)-5-phenyl-1H-pyrrol-2(5H)-one
The XLogP value of 4.63212 indicates that 4-(4-butoxy-3-methylbenzoyl)-3-hydroxy-1-(3-methoxypropyl)-5-phenyl-1H-pyrrol-2(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-butoxy-3-methylbenzoyl)-3-hydroxy-1-(3-methoxypropyl)-5-phenyl-1H-pyrrol-2(5H)-one. Following Lipinski's Rule of Five, 4-(4-butoxy-3-methylbenzoyl)-3-hydroxy-1-(3-methoxypropyl)-5-phenyl-1H-pyrrol-2(5H)-one has 1 hydrogen bond donor(s) and 5 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)-3-hydroxy-1-(3-methoxypropyl)-5-phenyl-1H-pyrrol-2(5H)-one?
The CAS number of 4-(4-butoxy-3-methylbenzoyl)-3-hydroxy-1-(3-methoxypropyl)-5-phenyl-1H-pyrrol-2(5H)-one is 489402-91-7.
What is the molecular formula of 4-(4-butoxy-3-methylbenzoyl)-3-hydroxy-1-(3-methoxypropyl)-5-phenyl-1H-pyrrol-2(5H)-one?
The molecular formula of 4-(4-butoxy-3-methylbenzoyl)-3-hydroxy-1-(3-methoxypropyl)-5-phenyl-1H-pyrrol-2(5H)-one is C26H31NO5.
What is the molecular weight of 4-(4-butoxy-3-methylbenzoyl)-3-hydroxy-1-(3-methoxypropyl)-5-phenyl-1H-pyrrol-2(5H)-one?
The molecular weight of 4-(4-butoxy-3-methylbenzoyl)-3-hydroxy-1-(3-methoxypropyl)-5-phenyl-1H-pyrrol-2(5H)-one is 437.22 g/mol.
Where can I buy 4-(4-butoxy-3-methylbenzoyl)-3-hydroxy-1-(3-methoxypropyl)-5-phenyl-1H-pyrrol-2(5H)-one?
You can request a quote for 4-(4-butoxy-3-methylbenzoyl)-3-hydroxy-1-(3-methoxypropyl)-5-phenyl-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)-3-hydroxy-1-(3-methoxypropyl)-5-phenyl-1H-pyrrol-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-butoxy-3-methylbenzoyl)-3-hydroxy-1-(3-methoxypropyl)-5-phenyl-1H-pyrrol-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.