![(4E)-1-(6-fluoro-1,3-benzothiazol-2-yl)-5-(2-fluorophenyl)-4-[hydroxy(thiophen-2-yl)methylidene]pyrrolidine-2,3-dione structure](/static/products/5141/514191-67-4.webp)
(4E)-1-(6-fluoro-1,3-benzothiazol-2-yl)-5-(2-fluorophenyl)-4-[hydroxy(thiophen-2-yl)methylidene]pyrrolidine-2,3-dione
TL;DR: (4E)-1-(6-fluoro-1,3-benzothiazol-2-yl)-5-(2-fluorophenyl)-4-[hydroxy(thiophen-2-yl)methylidene]pyrrolidine-2,3-dione (CAS 514191-67-4) is a chemical compound with molecular formula C22H12F2N2O3S2 and molecular weight 454.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(6-fluoro-1,3-benzothiazol-2-yl)-2-(2-fluorophenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
Also Known As: (4E)-1-(6-fluoro-1,3-benzothiazol-2-yl)-5-(2-fluorophenyl)-4-[hydroxy(thiophen-2-yl)methylidene]pyrrolidine-2,3-dione, 1-(6-fluoro-1,3-benzothiazol-2-yl)-2-(2-fluorophenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one, 1-(6-fluorobenzo[d]thiazol-2-yl)-5-(2-fluorophenyl)-3-hydroxy-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C22H12F2N2O3S2 |
|---|---|
| Molecular Weight | 454.03 g/mol |
| LogP | 5.4189 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 454.02573 |
| Heavy Atoms | 31 |
| Complexity | 1378.6874 |
Chemical Identifiers
| CAS Number | 514191-67-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2C(=C(C(=O)N2C3=NC4=C(S3)C=C(C=C4)F)O)C(=O)C5=CC=CS5)F |
Product Overview
(4E)-1-(6-fluoro-1,3-benzothiazol-2-yl)-5-(2-fluorophenyl)-4-[hydroxy(thiophen-2-yl)methylidene]pyrrolidine-2,3-dione (CAS 514191-67-4), with molecular formula C22H12F2N2O3S2 and molecular weight 454.03 g/mol. IUPAC: 1-(6-fluoro-1,3-benzothiazol-2-yl)-2-(2-fluorophenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
Chemical Property Profile of (4E)-1-(6-fluoro-1,3-benzothiazol-2-yl)-5-(2-fluorophenyl)-4-[hydroxy(thiophen-2-yl)methylidene]pyrrolidine-2,3-dione
Property Insights of (4E)-1-(6-fluoro-1,3-benzothiazol-2-yl)-5-(2-fluorophenyl)-4-[hydroxy(thiophen-2-yl)methylidene]pyrrolidine-2,3-dione
The XLogP value of 5.4189 indicates that (4E)-1-(6-fluoro-1,3-benzothiazol-2-yl)-5-(2-fluorophenyl)-4-[hydroxy(thiophen-2-yl)methylidene]pyrrolidine-2,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (4E)-1-(6-fluoro-1,3-benzothiazol-2-yl)-5-(2-fluorophenyl)-4-[hydroxy(thiophen-2-yl)methylidene]pyrrolidine-2,3-dione. Following Lipinski's Rule of Five, (4E)-1-(6-fluoro-1,3-benzothiazol-2-yl)-5-(2-fluorophenyl)-4-[hydroxy(thiophen-2-yl)methylidene]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-fluoro-1,3-benzothiazol-2-yl)-5-(2-fluorophenyl)-4-[hydroxy(thiophen-2-yl)methylidene]pyrrolidine-2,3-dione?
The CAS number of (4E)-1-(6-fluoro-1,3-benzothiazol-2-yl)-5-(2-fluorophenyl)-4-[hydroxy(thiophen-2-yl)methylidene]pyrrolidine-2,3-dione is 514191-67-4.
What is the molecular formula of (4E)-1-(6-fluoro-1,3-benzothiazol-2-yl)-5-(2-fluorophenyl)-4-[hydroxy(thiophen-2-yl)methylidene]pyrrolidine-2,3-dione?
The molecular formula of (4E)-1-(6-fluoro-1,3-benzothiazol-2-yl)-5-(2-fluorophenyl)-4-[hydroxy(thiophen-2-yl)methylidene]pyrrolidine-2,3-dione is C22H12F2N2O3S2.
What is the molecular weight of (4E)-1-(6-fluoro-1,3-benzothiazol-2-yl)-5-(2-fluorophenyl)-4-[hydroxy(thiophen-2-yl)methylidene]pyrrolidine-2,3-dione?
The molecular weight of (4E)-1-(6-fluoro-1,3-benzothiazol-2-yl)-5-(2-fluorophenyl)-4-[hydroxy(thiophen-2-yl)methylidene]pyrrolidine-2,3-dione is 454.03 g/mol.
Where can I buy (4E)-1-(6-fluoro-1,3-benzothiazol-2-yl)-5-(2-fluorophenyl)-4-[hydroxy(thiophen-2-yl)methylidene]pyrrolidine-2,3-dione?
You can request a quote for (4E)-1-(6-fluoro-1,3-benzothiazol-2-yl)-5-(2-fluorophenyl)-4-[hydroxy(thiophen-2-yl)methylidene]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-fluoro-1,3-benzothiazol-2-yl)-5-(2-fluorophenyl)-4-[hydroxy(thiophen-2-yl)methylidene]pyrrolidine-2,3-dione?
Yes, KEHONG BIO provides custom synthesis services for (4E)-1-(6-fluoro-1,3-benzothiazol-2-yl)-5-(2-fluorophenyl)-4-[hydroxy(thiophen-2-yl)methylidene]pyrrolidine-2,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.