1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-5-(3-methoxyphenyl)-4-(pyridine-4-carbonyl)-2,5-dihydro-1H-pyrrol-2-one
TL;DR: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-5-(3-methoxyphenyl)-4-(pyridine-4-carbonyl)-2,5-dihydro-1H-pyrrol-2-one (CAS 627487-01-8) is a chemical compound with molecular formula C26H21N3O4S and molecular weight 471.13 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(pyridin-4-yl)methylidene]-5-(3-methoxyphenyl)pyrrolidine-2,3-dione
Also Known As: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-5-(3-methoxyphenyl)-4-(pyridine-4-carbonyl)-2,5-dihydro-1H-pyrrol-2-one, 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(pyridin-4-yl)methylidene]-5-(3-methoxyphenyl)pyrrolidine-2,3-dione
| Molecular Formula | C26H21N3O4S |
|---|---|
| Molecular Weight | 471.13 g/mol |
| LogP | 4.94304 |
| Topological Polar Surface Area | 92.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 471.12527 |
| Heavy Atoms | 34 |
| Complexity | 1476.1946 |
Chemical Identifiers
| CAS Number | 627487-01-8 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1)SC(=N2)N3C(C(=C(C4=CC=NC=C4)O)C(=O)C3=O)C5=CC(=CC=C5)OC)C |
Product Overview
1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-5-(3-methoxyphenyl)-4-(pyridine-4-carbonyl)-2,5-dihydro-1H-pyrrol-2-one (CAS 627487-01-8), with molecular formula C26H21N3O4S and molecular weight 471.13 g/mol. IUPAC: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(pyridin-4-yl)methylidene]-5-(3-methoxyphenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-5-(3-methoxyphenyl)-4-(pyridine-4-carbonyl)-2,5-dihydro-1H-pyrrol-2-one
Property Insights of 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-5-(3-methoxyphenyl)-4-(pyridine-4-carbonyl)-2,5-dihydro-1H-pyrrol-2-one
The XLogP value of 4.94304 indicates that 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-5-(3-methoxyphenyl)-4-(pyridine-4-carbonyl)-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-5-(3-methoxyphenyl)-4-(pyridine-4-carbonyl)-2,5-dihydro-1H-pyrrol-2-one. Following Lipinski's Rule of Five, 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-5-(3-methoxyphenyl)-4-(pyridine-4-carbonyl)-2,5-dihydro-1H-pyrrol-2-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 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-5-(3-methoxyphenyl)-4-(pyridine-4-carbonyl)-2,5-dihydro-1H-pyrrol-2-one?
The CAS number of 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-5-(3-methoxyphenyl)-4-(pyridine-4-carbonyl)-2,5-dihydro-1H-pyrrol-2-one is 627487-01-8.
What is the molecular formula of 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-5-(3-methoxyphenyl)-4-(pyridine-4-carbonyl)-2,5-dihydro-1H-pyrrol-2-one?
The molecular formula of 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-5-(3-methoxyphenyl)-4-(pyridine-4-carbonyl)-2,5-dihydro-1H-pyrrol-2-one is C26H21N3O4S.
What is the molecular weight of 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-5-(3-methoxyphenyl)-4-(pyridine-4-carbonyl)-2,5-dihydro-1H-pyrrol-2-one?
The molecular weight of 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-5-(3-methoxyphenyl)-4-(pyridine-4-carbonyl)-2,5-dihydro-1H-pyrrol-2-one is 471.13 g/mol.
Where can I buy 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-5-(3-methoxyphenyl)-4-(pyridine-4-carbonyl)-2,5-dihydro-1H-pyrrol-2-one?
You can request a quote for 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-5-(3-methoxyphenyl)-4-(pyridine-4-carbonyl)-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-5-(3-methoxyphenyl)-4-(pyridine-4-carbonyl)-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-5-(3-methoxyphenyl)-4-(pyridine-4-carbonyl)-2,5-dihydro-1H-pyrrol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.