![4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(pyridin-2-yl)-1H-pyrrol-2(5H)-one structure](/static/products/618/618404-96-9.png)
4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(pyridin-2-yl)-1H-pyrrol-2(5H)-one
TL;DR: 4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(pyridin-2-yl)-1H-pyrrol-2(5H)-one (CAS 618404-96-9) is a chemical compound with molecular formula C22H23N3O5 and molecular weight 409.16 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-pyridin-2-ylpyrrolidine-2,3-dione
Also Known As: 4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(pyridin-2-yl)-1H-pyrrol-2(5H)-one, AB00654361-04, F3226-1661, (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-[2-(dimethylamino)ethyl]-5-pyridin-2-ylpyrrolidine-2,3-dione, 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(pyridin-2-yl)-2,5-dihydro-1H-pyrrol-2-one
| Molecular Formula | C22H23N3O5 |
|---|---|
| Molecular Weight | 409.16 g/mol |
| LogP | 1.8361 |
| Topological Polar Surface Area | 92.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 409.16376 |
| Heavy Atoms | 30 |
| Complexity | 1003.0875 |
Chemical Identifiers
| CAS Number | 618404-96-9 |
|---|---|
| SMILES | CN(C)CCN1C(/C(=C(/C2=CC3=C(C=C2)OCCO3)\O)/C(=O)C1=O)C4=CC=CC=N4 |
Product Overview
4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(pyridin-2-yl)-1H-pyrrol-2(5H)-one (CAS 618404-96-9), with molecular formula C22H23N3O5 and molecular weight 409.16 g/mol. IUPAC: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-[2-(dimethylamino)ethyl]-5-pyridin-2-ylpyrrolidine-2,3-dione.
Chemical Property Profile of 4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(pyridin-2-yl)-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-(pyridin-2-yl)-1H-pyrrol-2(5H)-one
The XLogP value of 1.8361 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(pyridin-2-yl)-1H-pyrrol-2(5H)-one. The TPSA of 92.2 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-(pyridin-2-yl)-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-(pyridin-2-yl)-1H-pyrrol-2(5H)-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-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(pyridin-2-yl)-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-(pyridin-2-yl)-1H-pyrrol-2(5H)-one is 618404-96-9.
What is the molecular formula of 4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(pyridin-2-yl)-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-(pyridin-2-yl)-1H-pyrrol-2(5H)-one is C22H23N3O5.
What is the molecular weight of 4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(pyridin-2-yl)-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-(pyridin-2-yl)-1H-pyrrol-2(5H)-one is 409.16 g/mol.
Where can I buy 4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(pyridin-2-yl)-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-(pyridin-2-yl)-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-(pyridin-2-yl)-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-(pyridin-2-yl)-1H-pyrrol-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.