![(4E)-5-(3,4-dimethoxyphenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(5-methylfuran-2-yl)methylidene]pyrrolidine-2,3-dione structure](/static/products/5141/514191-60-7.webp)
(4E)-5-(3,4-dimethoxyphenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(5-methylfuran-2-yl)methylidene]pyrrolidine-2,3-dione
TL;DR: (4E)-5-(3,4-dimethoxyphenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(5-methylfuran-2-yl)methylidene]pyrrolidine-2,3-dione (CAS 514191-60-7) is a chemical compound with molecular formula C25H19FN2O6S and molecular weight 494.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dimethoxyphenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
Also Known As: (4E)-5-(3,4-dimethoxyphenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(5-methylfuran-2-yl)methylidene]pyrrolidine-2,3-dione, 2-(3,4-dimethoxyphenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one, 5-(3,4-dimethoxyphenyl)-1-(6-fluorobenzo[d]thiazol-2-yl)-3-hydroxy-4-(5-methylfuran-2-carbonyl)-1H-pyrrol-2(5H)-one, 5-(3,4-dimethoxyphenyl)-1-(6-fluorobenzothiazol-2-yl)-3-hydroxy-4-[(5-methyl(2 -furyl))carbonyl]-3-pyrrolin-2-one
| Molecular Formula | C25H19FN2O6S |
|---|---|
| Molecular Weight | 494.09 g/mol |
| LogP | 5.13692 |
| Topological Polar Surface Area | 102.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 494.0948 |
| Heavy Atoms | 35 |
| Complexity | 1521.4323 |
Chemical Identifiers
| CAS Number | 514191-60-7 |
|---|---|
| SMILES | CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=CC(=C(C=C3)OC)OC)C4=NC5=C(S4)C=C(C=C5)F)O |
Product Overview
(4E)-5-(3,4-dimethoxyphenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(5-methylfuran-2-yl)methylidene]pyrrolidine-2,3-dione (CAS 514191-60-7), with molecular formula C25H19FN2O6S and molecular weight 494.09 g/mol. IUPAC: 2-(3,4-dimethoxyphenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one.
Chemical Property Profile of (4E)-5-(3,4-dimethoxyphenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(5-methylfuran-2-yl)methylidene]pyrrolidine-2,3-dione
Property Insights of (4E)-5-(3,4-dimethoxyphenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(5-methylfuran-2-yl)methylidene]pyrrolidine-2,3-dione
The XLogP value of 5.13692 indicates that (4E)-5-(3,4-dimethoxyphenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(5-methylfuran-2-yl)methylidene]pyrrolidine-2,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (4E)-5-(3,4-dimethoxyphenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(5-methylfuran-2-yl)methylidene]pyrrolidine-2,3-dione. Following Lipinski's Rule of Five, (4E)-5-(3,4-dimethoxyphenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(5-methylfuran-2-yl)methylidene]pyrrolidine-2,3-dione has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (4E)-5-(3,4-dimethoxyphenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(5-methylfuran-2-yl)methylidene]pyrrolidine-2,3-dione?
The CAS number of (4E)-5-(3,4-dimethoxyphenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(5-methylfuran-2-yl)methylidene]pyrrolidine-2,3-dione is 514191-60-7.
What is the molecular formula of (4E)-5-(3,4-dimethoxyphenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(5-methylfuran-2-yl)methylidene]pyrrolidine-2,3-dione?
The molecular formula of (4E)-5-(3,4-dimethoxyphenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(5-methylfuran-2-yl)methylidene]pyrrolidine-2,3-dione is C25H19FN2O6S.
What is the molecular weight of (4E)-5-(3,4-dimethoxyphenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(5-methylfuran-2-yl)methylidene]pyrrolidine-2,3-dione?
The molecular weight of (4E)-5-(3,4-dimethoxyphenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(5-methylfuran-2-yl)methylidene]pyrrolidine-2,3-dione is 494.09 g/mol.
Where can I buy (4E)-5-(3,4-dimethoxyphenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(5-methylfuran-2-yl)methylidene]pyrrolidine-2,3-dione?
You can request a quote for (4E)-5-(3,4-dimethoxyphenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(5-methylfuran-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)-5-(3,4-dimethoxyphenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(5-methylfuran-2-yl)methylidene]pyrrolidine-2,3-dione?
Yes, KEHONG BIO provides custom synthesis services for (4E)-5-(3,4-dimethoxyphenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(5-methylfuran-2-yl)methylidene]pyrrolidine-2,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.