![4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(4-isopropylphenyl)-1H-pyrrol-2(5H)-one structure](/static/products/618/618424-91-2.png)
4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(4-isopropylphenyl)-1H-pyrrol-2(5H)-one
TL;DR: 4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(4-isopropylphenyl)-1H-pyrrol-2(5H)-one (CAS 618424-91-2) is a chemical compound with molecular formula C26H30N2O5 and molecular weight 450.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-[2-(dimethylamino)ethyl]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione
Also Known As: 4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(4-isopropylphenyl)-1H-pyrrol-2(5H)-one, (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(2-dimethylaminoethyl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione, (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-[2-(dimethylamino)ethyl]-5-[4-(propan-2-yl)phenyl]pyrrolidine-2,3-dione, 4-(2H,3H-benzo[3,4-e]1,4-dioxan-6-ylcarbonyl)-1-[2-(dimethylamino)ethyl]-3-hyd roxy-5-[4-(methylethyl)phenyl]-3-pyrrolin-2-one
| Molecular Formula | C26H30N2O5 |
|---|---|
| Molecular Weight | 450.22 g/mol |
| LogP | 3.5645 |
| Topological Polar Surface Area | 79.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 450.21548 |
| Heavy Atoms | 33 |
| Complexity | 1088.3611 |
Chemical Identifiers
| CAS Number | 618424-91-2 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C2/C(=C(/C3=CC4=C(C=C3)OCCO4)\O)/C(=O)C(=O)N2CCN(C)C |
Product Overview
4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(4-isopropylphenyl)-1H-pyrrol-2(5H)-one (CAS 618424-91-2), with molecular formula C26H30N2O5 and molecular weight 450.22 g/mol. IUPAC: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-[2-(dimethylamino)ethyl]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of 4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(4-isopropylphenyl)-1H-pyrrol-2(5H)-one
Property Insights of 4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(4-isopropylphenyl)-1H-pyrrol-2(5H)-one
The XLogP value of 3.5645 indicates that 4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(4-isopropylphenyl)-1H-pyrrol-2(5H)-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 4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(4-isopropylphenyl)-1H-pyrrol-2(5H)-one. Following Lipinski's Rule of Five, 4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(4-isopropylphenyl)-1H-pyrrol-2(5H)-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-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(4-isopropylphenyl)-1H-pyrrol-2(5H)-one?
The CAS number of 4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(4-isopropylphenyl)-1H-pyrrol-2(5H)-one is 618424-91-2.
What is the molecular formula of 4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(4-isopropylphenyl)-1H-pyrrol-2(5H)-one?
The molecular formula of 4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(4-isopropylphenyl)-1H-pyrrol-2(5H)-one is C26H30N2O5.
What is the molecular weight of 4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(4-isopropylphenyl)-1H-pyrrol-2(5H)-one?
The molecular weight of 4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(4-isopropylphenyl)-1H-pyrrol-2(5H)-one is 450.22 g/mol.
Where can I buy 4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(4-isopropylphenyl)-1H-pyrrol-2(5H)-one?
You can request a quote for 4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(4-isopropylphenyl)-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-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(4-isopropylphenyl)-1H-pyrrol-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(4-isopropylphenyl)-1H-pyrrol-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.