4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-1-(2-phenylethyl)-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one
TL;DR: 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-1-(2-phenylethyl)-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one (CAS 577964-19-3) is a chemical compound with molecular formula C25H21NO5S and molecular weight 447.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(2-phenylethyl)-5-thiophen-2-ylpyrrolidine-2,3-dione
Also Known As: 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-1-(2-phenylethyl)-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one, 4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-phenethyl-5-thiophen-2-ylpyrrolidine-2,3-dione
| Molecular Formula | C25H21NO5S |
|---|---|
| Molecular Weight | 447.11 g/mol |
| LogP | 4.1837 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 447.11404 |
| Heavy Atoms | 32 |
| Complexity | 1186.306 |
Chemical Identifiers
| CAS Number | 577964-19-3 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CCC4=CC=CC=C4)C5=CC=CS5)O |
Product Overview
4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-1-(2-phenylethyl)-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one (CAS 577964-19-3), with molecular formula C25H21NO5S and molecular weight 447.11 g/mol. IUPAC: 4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(2-phenylethyl)-5-thiophen-2-ylpyrrolidine-2,3-dione.
Chemical Property Profile of 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-1-(2-phenylethyl)-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one
Property Insights of 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-1-(2-phenylethyl)-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one
The XLogP value of 4.1837 indicates that 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-1-(2-phenylethyl)-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-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-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-1-(2-phenylethyl)-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one. Following Lipinski's Rule of Five, 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-1-(2-phenylethyl)-5-(thiophen-2-yl)-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 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-1-(2-phenylethyl)-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one?
The CAS number of 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-1-(2-phenylethyl)-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one is 577964-19-3.
What is the molecular formula of 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-1-(2-phenylethyl)-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one?
The molecular formula of 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-1-(2-phenylethyl)-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one is C25H21NO5S.
What is the molecular weight of 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-1-(2-phenylethyl)-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one?
The molecular weight of 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-1-(2-phenylethyl)-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one is 447.11 g/mol.
Where can I buy 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-1-(2-phenylethyl)-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one?
You can request a quote for 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-1-(2-phenylethyl)-5-(thiophen-2-yl)-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-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-1-(2-phenylethyl)-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-1-(2-phenylethyl)-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.