![(4E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)(hydroxy)methylidene]-5-(4-methylphenyl)pyrrolidine-2,3-dione structure](/static/products/514/514192-85-9.png)
(4E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)(hydroxy)methylidene]-5-(4-methylphenyl)pyrrolidine-2,3-dione
TL;DR: (4E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)(hydroxy)methylidene]-5-(4-methylphenyl)pyrrolidine-2,3-dione (CAS 514192-85-9) is a chemical compound with molecular formula C27H21FN2O4S and molecular weight 488.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(4-methylphenyl)pyrrolidine-2,3-dione
Also Known As: (4E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)(hydroxy)methylidene]-5-(4-methylphenyl)pyrrolidine-2,3-dione, (4E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(4-methylphenyl)pyrrolidine-2,3-dione, 1-(6-ethoxybenzo[d]thiazol-2-yl)-4-(4-fluorobenzoyl)-3-hydroxy-5-(p-tolyl)-1H-pyrrol-2(5H)-one, 1-(6-ethoxybenzothiazol-2-yl)-4-[(4-fluorophenyl)carbonyl]-3-hydroxy-5-(4-meth ylphenyl)-3-pyrrolin-2-one
| Molecular Formula | C27H21FN2O4S |
|---|---|
| Molecular Weight | 488.12 g/mol |
| LogP | 5.76882 |
| Topological Polar Surface Area | 79.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 488.1206 |
| Heavy Atoms | 35 |
| Complexity | 1475.606 |
Chemical Identifiers
| CAS Number | 514192-85-9 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N=C(S2)N3C(/C(=C(/C4=CC=C(C=C4)F)\O)/C(=O)C3=O)C5=CC=C(C=C5)C |
Product Overview
(4E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)(hydroxy)methylidene]-5-(4-methylphenyl)pyrrolidine-2,3-dione (CAS 514192-85-9), with molecular formula C27H21FN2O4S and molecular weight 488.12 g/mol. IUPAC: (4E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(4-methylphenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of (4E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)(hydroxy)methylidene]-5-(4-methylphenyl)pyrrolidine-2,3-dione
Property Insights of (4E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)(hydroxy)methylidene]-5-(4-methylphenyl)pyrrolidine-2,3-dione
The XLogP value of 5.76882 indicates that (4E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)(hydroxy)methylidene]-5-(4-methylphenyl)pyrrolidine-2,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.73 Ų falls within the moderate polarity range, balancing permeability and solubility for (4E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)(hydroxy)methylidene]-5-(4-methylphenyl)pyrrolidine-2,3-dione. Following Lipinski's Rule of Five, (4E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)(hydroxy)methylidene]-5-(4-methylphenyl)pyrrolidine-2,3-dione 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 (4E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)(hydroxy)methylidene]-5-(4-methylphenyl)pyrrolidine-2,3-dione?
The CAS number of (4E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)(hydroxy)methylidene]-5-(4-methylphenyl)pyrrolidine-2,3-dione is 514192-85-9.
What is the molecular formula of (4E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)(hydroxy)methylidene]-5-(4-methylphenyl)pyrrolidine-2,3-dione?
The molecular formula of (4E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)(hydroxy)methylidene]-5-(4-methylphenyl)pyrrolidine-2,3-dione is C27H21FN2O4S.
What is the molecular weight of (4E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)(hydroxy)methylidene]-5-(4-methylphenyl)pyrrolidine-2,3-dione?
The molecular weight of (4E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)(hydroxy)methylidene]-5-(4-methylphenyl)pyrrolidine-2,3-dione is 488.12 g/mol.
Where can I buy (4E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)(hydroxy)methylidene]-5-(4-methylphenyl)pyrrolidine-2,3-dione?
You can request a quote for (4E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)(hydroxy)methylidene]-5-(4-methylphenyl)pyrrolidine-2,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)(hydroxy)methylidene]-5-(4-methylphenyl)pyrrolidine-2,3-dione?
Yes, KEHONG BIO provides custom synthesis services for (4E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)(hydroxy)methylidene]-5-(4-methylphenyl)pyrrolidine-2,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.