![(4E)-4-[(4-fluorophenyl)(hydroxy)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione structure](/static/products/514/514186-91-5.png)
(4E)-4-[(4-fluorophenyl)(hydroxy)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione
TL;DR: (4E)-4-[(4-fluorophenyl)(hydroxy)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione (CAS 514186-91-5) is a chemical compound with molecular formula C25H16FN3O6S and molecular weight 505.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione
Also Known As: (4E)-4-[(4-fluorophenyl)(hydroxy)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione, (4E)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione, 4-(4-fluorobenzoyl)-3-hydroxy-1-(6-methoxybenzo[d]thiazol-2-yl)-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one, 4-[(4-fluorophenyl)carbonyl]-3-hydroxy-1-(6-methoxybenzothiazol-2-yl)-5-(4-nit rophenyl)-3-pyrrolin-2-one
| Molecular Formula | C25H16FN3O6S |
|---|---|
| Molecular Weight | 505.07 g/mol |
| LogP | 4.9785 |
| Topological Polar Surface Area | 122.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 505.07437 |
| Heavy Atoms | 36 |
| Complexity | 1563.2249 |
Chemical Identifiers
| CAS Number | 514186-91-5 |
|---|---|
| SMILES | COC1=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)[N+](=O)[O-] |
Product Overview
(4E)-4-[(4-fluorophenyl)(hydroxy)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione (CAS 514186-91-5), with molecular formula C25H16FN3O6S and molecular weight 505.07 g/mol. IUPAC: (4E)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of (4E)-4-[(4-fluorophenyl)(hydroxy)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione
Property Insights of (4E)-4-[(4-fluorophenyl)(hydroxy)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione
The XLogP value of 4.9785 indicates that (4E)-4-[(4-fluorophenyl)(hydroxy)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.87 Ų falls within the moderate polarity range, balancing permeability and solubility for (4E)-4-[(4-fluorophenyl)(hydroxy)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione. Following Lipinski's Rule of Five, (4E)-4-[(4-fluorophenyl)(hydroxy)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-(4-nitrophenyl)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)-4-[(4-fluorophenyl)(hydroxy)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione?
The CAS number of (4E)-4-[(4-fluorophenyl)(hydroxy)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione is 514186-91-5.
What is the molecular formula of (4E)-4-[(4-fluorophenyl)(hydroxy)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione?
The molecular formula of (4E)-4-[(4-fluorophenyl)(hydroxy)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione is C25H16FN3O6S.
What is the molecular weight of (4E)-4-[(4-fluorophenyl)(hydroxy)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione?
The molecular weight of (4E)-4-[(4-fluorophenyl)(hydroxy)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione is 505.07 g/mol.
Where can I buy (4E)-4-[(4-fluorophenyl)(hydroxy)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione?
You can request a quote for (4E)-4-[(4-fluorophenyl)(hydroxy)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-(4-nitrophenyl)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)-4-[(4-fluorophenyl)(hydroxy)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione?
Yes, KEHONG BIO provides custom synthesis services for (4E)-4-[(4-fluorophenyl)(hydroxy)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.