![4-(4-BUTOXY-3-METHYLBENZOYL)-1-[2-(DIMETHYLAMINO)ETHYL]-3-HYDROXY-5-(3-NITROPHENYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE structure](/static/products/489/489402-67-7.png)
4-(4-BUTOXY-3-METHYLBENZOYL)-1-[2-(DIMETHYLAMINO)ETHYL]-3-HYDROXY-5-(3-NITROPHENYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE
TL;DR: 4-(4-BUTOXY-3-METHYLBENZOYL)-1-[2-(DIMETHYLAMINO)ETHYL]-3-HYDROXY-5-(3-NITROPHENYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE (CAS 489402-67-7) is a chemical compound with molecular formula C26H31N3O6 and molecular weight 481.22 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-[2-(dimethylamino)ethyl]-5-(3-nitrophenyl)pyrrolidine-2,3-dione
Also Known As: 4-(4-BUTOXY-3-METHYLBENZOYL)-1-[2-(DIMETHYLAMINO)ETHYL]-3-HYDROXY-5-(3-NITROPHENYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE, (4E)-4-[(4-butoxy-3-methylphenyl)-hydroxymethylidene]-1-(2-dimethylaminoethyl)-5-(3-nitrophenyl)pyrrolidine-2,3-dione, 4-(4-butoxy-3-methylbenzoyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one, 4-[(4-butoxy-3-methylphenyl)carbonyl]-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(3-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C26H31N3O6 |
|---|---|
| Molecular Weight | 481.22 g/mol |
| LogP | 4.06542 |
| Topological Polar Surface Area | 113.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 481.22128 |
| Heavy Atoms | 35 |
| Complexity | 1157.5261 |
Chemical Identifiers
| CAS Number | 489402-67-7 |
|---|---|
| SMILES | CCCCOC1=C(C=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCN(C)C)C3=CC(=CC=C3)[N+](=O)[O-])/O)C |
Product Overview
4-(4-BUTOXY-3-METHYLBENZOYL)-1-[2-(DIMETHYLAMINO)ETHYL]-3-HYDROXY-5-(3-NITROPHENYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE (CAS 489402-67-7), with molecular formula C26H31N3O6 and molecular weight 481.22 g/mol. IUPAC: (4E)-4-[(4-butoxy-3-methylphenyl)-hydroxymethylidene]-1-[2-(dimethylamino)ethyl]-5-(3-nitrophenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of 4-(4-BUTOXY-3-METHYLBENZOYL)-1-[2-(DIMETHYLAMINO)ETHYL]-3-HYDROXY-5-(3-NITROPHENYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE
Property Insights of 4-(4-BUTOXY-3-METHYLBENZOYL)-1-[2-(DIMETHYLAMINO)ETHYL]-3-HYDROXY-5-(3-NITROPHENYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE
The XLogP value of 4.06542 indicates that 4-(4-BUTOXY-3-METHYLBENZOYL)-1-[2-(DIMETHYLAMINO)ETHYL]-3-HYDROXY-5-(3-NITROPHENYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-BUTOXY-3-METHYLBENZOYL)-1-[2-(DIMETHYLAMINO)ETHYL]-3-HYDROXY-5-(3-NITROPHENYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE. Following Lipinski's Rule of Five, 4-(4-BUTOXY-3-METHYLBENZOYL)-1-[2-(DIMETHYLAMINO)ETHYL]-3-HYDROXY-5-(3-NITROPHENYL)-1,5-DIHYDRO-2H-PYRROL-2-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 4-(4-BUTOXY-3-METHYLBENZOYL)-1-[2-(DIMETHYLAMINO)ETHYL]-3-HYDROXY-5-(3-NITROPHENYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE?
The CAS number of 4-(4-BUTOXY-3-METHYLBENZOYL)-1-[2-(DIMETHYLAMINO)ETHYL]-3-HYDROXY-5-(3-NITROPHENYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE is 489402-67-7.
What is the molecular formula of 4-(4-BUTOXY-3-METHYLBENZOYL)-1-[2-(DIMETHYLAMINO)ETHYL]-3-HYDROXY-5-(3-NITROPHENYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE?
The molecular formula of 4-(4-BUTOXY-3-METHYLBENZOYL)-1-[2-(DIMETHYLAMINO)ETHYL]-3-HYDROXY-5-(3-NITROPHENYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE is C26H31N3O6.
What is the molecular weight of 4-(4-BUTOXY-3-METHYLBENZOYL)-1-[2-(DIMETHYLAMINO)ETHYL]-3-HYDROXY-5-(3-NITROPHENYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE?
The molecular weight of 4-(4-BUTOXY-3-METHYLBENZOYL)-1-[2-(DIMETHYLAMINO)ETHYL]-3-HYDROXY-5-(3-NITROPHENYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE is 481.22 g/mol.
Where can I buy 4-(4-BUTOXY-3-METHYLBENZOYL)-1-[2-(DIMETHYLAMINO)ETHYL]-3-HYDROXY-5-(3-NITROPHENYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE?
You can request a quote for 4-(4-BUTOXY-3-METHYLBENZOYL)-1-[2-(DIMETHYLAMINO)ETHYL]-3-HYDROXY-5-(3-NITROPHENYL)-1,5-DIHYDRO-2H-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-(3-NITROPHENYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-BUTOXY-3-METHYLBENZOYL)-1-[2-(DIMETHYLAMINO)ETHYL]-3-HYDROXY-5-(3-NITROPHENYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.