![1-[3-(dimethylamino)propyl]-4-(3-fluoro-4-methoxybenzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one structure](/static/products/616/616213-35-5.png)
1-[3-(dimethylamino)propyl]-4-(3-fluoro-4-methoxybenzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one
TL;DR: 1-[3-(dimethylamino)propyl]-4-(3-fluoro-4-methoxybenzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one (CAS 616213-35-5) is a chemical compound with molecular formula C24H27FN2O6 and molecular weight 458.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-1-[3-(dimethylamino)propyl]-4-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-5-(4-hydroxy-3-methoxyphenyl)pyrrolidine-2,3-dione
Also Known As: 1-[3-(dimethylamino)propyl]-4-(3-fluoro-4-methoxybenzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one, (4E)-1-[3-(dimethylamino)propyl]-4-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-5-(4-hydroxy-3-methoxyphenyl)pyrrolidine-2,3-dione, 1-[3-(dimethylamino)propyl]-4-[(3-fluoro-4-methoxyphenyl)carbonyl]-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C24H27FN2O6 |
|---|---|
| Molecular Weight | 458.19 g/mol |
| LogP | 2.9219 |
| Topological Polar Surface Area | 99.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 458.1853 |
| Heavy Atoms | 33 |
| Complexity | 1098.3572 |
Chemical Identifiers
| CAS Number | 616213-35-5 |
|---|---|
| SMILES | CN(C)CCCN1C(/C(=C(/C2=CC(=C(C=C2)OC)F)\O)/C(=O)C1=O)C3=CC(=C(C=C3)O)OC |
Product Overview
1-[3-(dimethylamino)propyl]-4-(3-fluoro-4-methoxybenzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one (CAS 616213-35-5), with molecular formula C24H27FN2O6 and molecular weight 458.19 g/mol. IUPAC: (4E)-1-[3-(dimethylamino)propyl]-4-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-5-(4-hydroxy-3-methoxyphenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of 1-[3-(dimethylamino)propyl]-4-(3-fluoro-4-methoxybenzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one
Property Insights of 1-[3-(dimethylamino)propyl]-4-(3-fluoro-4-methoxybenzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one
The XLogP value of 2.9219 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[3-(dimethylamino)propyl]-4-(3-fluoro-4-methoxybenzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one. The TPSA of 99.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[3-(dimethylamino)propyl]-4-(3-fluoro-4-methoxybenzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one. Following Lipinski's Rule of Five, 1-[3-(dimethylamino)propyl]-4-(3-fluoro-4-methoxybenzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one has 2 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-(3-fluoro-4-methoxybenzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one?
The CAS number of 1-[3-(dimethylamino)propyl]-4-(3-fluoro-4-methoxybenzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one is 616213-35-5.
What is the molecular formula of 1-[3-(dimethylamino)propyl]-4-(3-fluoro-4-methoxybenzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one?
The molecular formula of 1-[3-(dimethylamino)propyl]-4-(3-fluoro-4-methoxybenzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one is C24H27FN2O6.
What is the molecular weight of 1-[3-(dimethylamino)propyl]-4-(3-fluoro-4-methoxybenzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one?
The molecular weight of 1-[3-(dimethylamino)propyl]-4-(3-fluoro-4-methoxybenzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one is 458.19 g/mol.
Where can I buy 1-[3-(dimethylamino)propyl]-4-(3-fluoro-4-methoxybenzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one?
You can request a quote for 1-[3-(dimethylamino)propyl]-4-(3-fluoro-4-methoxybenzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-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 1-[3-(dimethylamino)propyl]-4-(3-fluoro-4-methoxybenzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[3-(dimethylamino)propyl]-4-(3-fluoro-4-methoxybenzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.