3-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one
TL;DR: 3-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one (CAS 877806-05-8) 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.
4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-pyridin-3-ylpyrrolidine-2,3-dione
Also Known As: 3-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one, 4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-pyridin-3-ylpyrrolidine-2,3-dione
| Molecular Formula | C27H21N3O5S |
|---|---|
| Molecular Weight | 499.12 g/mol |
| LogP | 4.6496 |
| Topological Polar Surface Area | 101.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 499.12018 |
| Heavy Atoms | 36 |
| Complexity | 1562.4387 |
Chemical Identifiers
| CAS Number | 877806-05-8 |
|---|---|
| SMILES | CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NC5=C(S4)C=C(C=C5)OC)C6=CN=CC=C6)O |
Product Overview
3-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one (CAS 877806-05-8), with molecular formula C27H21N3O5S and molecular weight 499.12 g/mol. IUPAC: 4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-pyridin-3-ylpyrrolidine-2,3-dione.
Chemical Property Profile of 3-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one
Property Insights of 3-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-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 4.6496 indicates that 3-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-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 101.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-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, 3-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-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 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 3-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-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 3-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one is 877806-05-8.
What is the molecular formula of 3-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-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 3-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one is C27H21N3O5S.
What is the molecular weight of 3-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-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 3-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one is 499.12 g/mol.
Where can I buy 3-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-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 3-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-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 3-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-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 3-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-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.