![1-[3-(diethylamino)propyl]-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(2-fluorophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one structure](/static/products/5779/577986-18-6.webp)
1-[3-(diethylamino)propyl]-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(2-fluorophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one
TL;DR: 1-[3-(diethylamino)propyl]-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(2-fluorophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one (CAS 577986-18-6) is a chemical compound with molecular formula C26H29FN2O5 and molecular weight 468.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(diethylamino)propyl]-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(2-fluorophenyl)pyrrolidine-2,3-dione
Also Known As: 1-[3-(diethylamino)propyl]-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(2-fluorophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one, 1-[3-(diethylamino)propyl]-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(2-fluorophenyl)pyrrolidine-2,3-dione
| Molecular Formula | C26H29FN2O5 |
|---|---|
| Molecular Weight | 468.21 g/mol |
| LogP | 3.7505 |
| Topological Polar Surface Area | 79.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 468.20605 |
| Heavy Atoms | 34 |
| Complexity | 1112.1199 |
Chemical Identifiers
| CAS Number | 577986-18-6 |
|---|---|
| SMILES | CCN(CC)CCCN1C(C(=C(C2=CC3=C(C=C2)OCCO3)O)C(=O)C1=O)C4=CC=CC=C4F |
Product Overview
1-[3-(diethylamino)propyl]-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(2-fluorophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one (CAS 577986-18-6), with molecular formula C26H29FN2O5 and molecular weight 468.21 g/mol. IUPAC: 1-[3-(diethylamino)propyl]-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(2-fluorophenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of 1-[3-(diethylamino)propyl]-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(2-fluorophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one
Property Insights of 1-[3-(diethylamino)propyl]-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(2-fluorophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one
The XLogP value of 3.7505 indicates that 1-[3-(diethylamino)propyl]-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(2-fluorophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[3-(diethylamino)propyl]-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(2-fluorophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one. Following Lipinski's Rule of Five, 1-[3-(diethylamino)propyl]-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(2-fluorophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one has 1 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 1-[3-(diethylamino)propyl]-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(2-fluorophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one?
The CAS number of 1-[3-(diethylamino)propyl]-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(2-fluorophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one is 577986-18-6.
What is the molecular formula of 1-[3-(diethylamino)propyl]-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(2-fluorophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one?
The molecular formula of 1-[3-(diethylamino)propyl]-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(2-fluorophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one is C26H29FN2O5.
What is the molecular weight of 1-[3-(diethylamino)propyl]-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(2-fluorophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one?
The molecular weight of 1-[3-(diethylamino)propyl]-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(2-fluorophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one is 468.21 g/mol.
Where can I buy 1-[3-(diethylamino)propyl]-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(2-fluorophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one?
You can request a quote for 1-[3-(diethylamino)propyl]-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(2-fluorophenyl)-3-hydroxy-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-(diethylamino)propyl]-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(2-fluorophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[3-(diethylamino)propyl]-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(2-fluorophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.