4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one
TL;DR: 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one (CAS 577791-27-6) is a chemical compound with molecular formula C27H21N3O5S and molecular weight 499.12 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-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-pyridin-3-ylpyrrolidine-2,3-dione
Also Known As: 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one, (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-(pyridin-3-yl)pyrrolidine-2,3-dione, (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-pyridin-3-ylpyrrolidine-2,3-dione, 4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(4,6-dimethylbenzo[d]thiazol-2-yl)-3-hydroxy-5-(pyridin-3-yl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C27H21N3O5S |
|---|---|
| Molecular Weight | 499.12 g/mol |
| LogP | 4.70564 |
| Topological Polar Surface Area | 101.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 499.12018 |
| Heavy Atoms | 36 |
| Complexity | 1577.3345 |
Chemical Identifiers
| CAS Number | 577791-27-6 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1)SC(=N2)N3C(/C(=C(/C4=CC5=C(C=C4)OCCO5)\O)/C(=O)C3=O)C6=CN=CC=C6)C |
Product Overview
4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one (CAS 577791-27-6), with molecular formula C27H21N3O5S and molecular weight 499.12 g/mol. IUPAC: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-pyridin-3-ylpyrrolidine-2,3-dione.
Chemical Property Profile of 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one
Property Insights of 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one
The XLogP value of 4.70564 indicates that 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one. Following Lipinski's Rule of Five, 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one has 1 hydrogen bond donor(s) and 8 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)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one?
The CAS number of 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one is 577791-27-6.
What is the molecular formula of 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one?
The molecular formula of 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one is C27H21N3O5S.
What is the molecular weight of 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one?
The molecular weight of 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one is 499.12 g/mol.
Where can I buy 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one?
You can request a quote for 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-5-(pyridin-3-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)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-5-(pyridin-3-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)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.