1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-(4-fluorophenyl)-3-hydroxy-4-(pyridine-4-carbonyl)-2,5-dihydro-1H-pyrrol-2-one
TL;DR: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-(4-fluorophenyl)-3-hydroxy-4-(pyridine-4-carbonyl)-2,5-dihydro-1H-pyrrol-2-one (CAS 627474-50-4) is a chemical compound with molecular formula C25H18FN3O3S and molecular weight 459.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-(4-fluorophenyl)-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione
Also Known As: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-(4-fluorophenyl)-3-hydroxy-4-(pyridine-4-carbonyl)-2,5-dihydro-1H-pyrrol-2-one, (4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-(4-fluorophenyl)-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione
| Molecular Formula | C25H18FN3O3S |
|---|---|
| Molecular Weight | 459.11 g/mol |
| LogP | 5.07354 |
| Topological Polar Surface Area | 83.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 459.1053 |
| Heavy Atoms | 33 |
| Complexity | 1445.2959 |
Chemical Identifiers
| CAS Number | 627474-50-4 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1)SC(=N2)N3C(/C(=C(/C4=CC=NC=C4)\O)/C(=O)C3=O)C5=CC=C(C=C5)F)C |
Product Overview
1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-(4-fluorophenyl)-3-hydroxy-4-(pyridine-4-carbonyl)-2,5-dihydro-1H-pyrrol-2-one (CAS 627474-50-4), with molecular formula C25H18FN3O3S and molecular weight 459.11 g/mol. IUPAC: (4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-(4-fluorophenyl)-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione.
Chemical Property Profile of 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-(4-fluorophenyl)-3-hydroxy-4-(pyridine-4-carbonyl)-2,5-dihydro-1H-pyrrol-2-one
Property Insights of 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-(4-fluorophenyl)-3-hydroxy-4-(pyridine-4-carbonyl)-2,5-dihydro-1H-pyrrol-2-one
The XLogP value of 5.07354 indicates that 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-(4-fluorophenyl)-3-hydroxy-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 83.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-(4-fluorophenyl)-3-hydroxy-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)-5-(4-fluorophenyl)-3-hydroxy-4-(pyridine-4-carbonyl)-2,5-dihydro-1H-pyrrol-2-one has 1 hydrogen bond donor(s) and 6 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)-5-(4-fluorophenyl)-3-hydroxy-4-(pyridine-4-carbonyl)-2,5-dihydro-1H-pyrrol-2-one?
The CAS number of 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-(4-fluorophenyl)-3-hydroxy-4-(pyridine-4-carbonyl)-2,5-dihydro-1H-pyrrol-2-one is 627474-50-4.
What is the molecular formula of 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-(4-fluorophenyl)-3-hydroxy-4-(pyridine-4-carbonyl)-2,5-dihydro-1H-pyrrol-2-one?
The molecular formula of 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-(4-fluorophenyl)-3-hydroxy-4-(pyridine-4-carbonyl)-2,5-dihydro-1H-pyrrol-2-one is C25H18FN3O3S.
What is the molecular weight of 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-(4-fluorophenyl)-3-hydroxy-4-(pyridine-4-carbonyl)-2,5-dihydro-1H-pyrrol-2-one?
The molecular weight of 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-(4-fluorophenyl)-3-hydroxy-4-(pyridine-4-carbonyl)-2,5-dihydro-1H-pyrrol-2-one is 459.11 g/mol.
Where can I buy 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-(4-fluorophenyl)-3-hydroxy-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)-5-(4-fluorophenyl)-3-hydroxy-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)-5-(4-fluorophenyl)-3-hydroxy-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)-5-(4-fluorophenyl)-3-hydroxy-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.