1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one
TL;DR: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one (CAS 877801-04-2) is a chemical compound with molecular formula C28H23N3O4S and molecular weight 497.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione
Also Known As: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one, 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione
| Molecular Formula | C28H23N3O4S |
|---|---|
| Molecular Weight | 497.14 g/mol |
| LogP | 5.25784 |
| Topological Polar Surface Area | 92.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 497.14093 |
| Heavy Atoms | 36 |
| Complexity | 1591.3953 |
Chemical Identifiers
| CAS Number | 877801-04-2 |
|---|---|
| SMILES | CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NC5=C(C=C(C=C5S4)C)C)C6=CN=CC=C6)O |
Product Overview
1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one (CAS 877801-04-2), with molecular formula C28H23N3O4S and molecular weight 497.14 g/mol. IUPAC: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione.
Chemical Property Profile of 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one
Property Insights of 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one
The XLogP value of 5.25784 indicates that 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-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 92.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one. Following Lipinski's Rule of Five, 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one?
The CAS number of 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one is 877801-04-2.
What is the molecular formula of 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one?
The molecular formula of 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one is C28H23N3O4S.
What is the molecular weight of 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one?
The molecular weight of 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one is 497.14 g/mol.
Where can I buy 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one?
You can request a quote for 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-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 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-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.