![1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)(hydroxy)methylidene]-5-(2-methoxyphenyl)pyrrolidine-2,3-dione structure](/static/products/4835/4835-85-2.webp)
1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)(hydroxy)methylidene]-5-(2-methoxyphenyl)pyrrolidine-2,3-dione
TL;DR: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)(hydroxy)methylidene]-5-(2-methoxyphenyl)pyrrolidine-2,3-dione (CAS 4835-85-2) is a chemical compound with molecular formula C27H21FN2O5S and molecular weight 504.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(2-methoxyphenyl)pyrrolidine-2,3-dione
Also Known As: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)(hydroxy)methylidene]-5-(2-methoxyphenyl)pyrrolidine-2,3-dione, 1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(2-methoxyphenyl)pyrrolidine-2,3-dione
| Molecular Formula | C27H21FN2O5S |
|---|---|
| Molecular Weight | 504.12 g/mol |
| LogP | 5.469 |
| Topological Polar Surface Area | 88.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 504.1155 |
| Heavy Atoms | 36 |
| Complexity | 1512.3898 |
Chemical Identifiers
| CAS Number | 4835-85-2 |
|---|---|
| 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=CC=C5OC |
Product Overview
1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)(hydroxy)methylidene]-5-(2-methoxyphenyl)pyrrolidine-2,3-dione (CAS 4835-85-2), with molecular formula C27H21FN2O5S and molecular weight 504.12 g/mol. IUPAC: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(2-methoxyphenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of 1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)(hydroxy)methylidene]-5-(2-methoxyphenyl)pyrrolidine-2,3-dione
Property Insights of 1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)(hydroxy)methylidene]-5-(2-methoxyphenyl)pyrrolidine-2,3-dione
The XLogP value of 5.469 indicates that 1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)(hydroxy)methylidene]-5-(2-methoxyphenyl)pyrrolidine-2,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)(hydroxy)methylidene]-5-(2-methoxyphenyl)pyrrolidine-2,3-dione. Following Lipinski's Rule of Five, 1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)(hydroxy)methylidene]-5-(2-methoxyphenyl)pyrrolidine-2,3-dione has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)(hydroxy)methylidene]-5-(2-methoxyphenyl)pyrrolidine-2,3-dione?
The CAS number of 1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)(hydroxy)methylidene]-5-(2-methoxyphenyl)pyrrolidine-2,3-dione is 4835-85-2.
What is the molecular formula of 1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)(hydroxy)methylidene]-5-(2-methoxyphenyl)pyrrolidine-2,3-dione?
The molecular formula of 1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)(hydroxy)methylidene]-5-(2-methoxyphenyl)pyrrolidine-2,3-dione is C27H21FN2O5S.
What is the molecular weight of 1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)(hydroxy)methylidene]-5-(2-methoxyphenyl)pyrrolidine-2,3-dione?
The molecular weight of 1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)(hydroxy)methylidene]-5-(2-methoxyphenyl)pyrrolidine-2,3-dione is 504.12 g/mol.
Where can I buy 1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)(hydroxy)methylidene]-5-(2-methoxyphenyl)pyrrolidine-2,3-dione?
You can request a quote for 1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)(hydroxy)methylidene]-5-(2-methoxyphenyl)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 1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)(hydroxy)methylidene]-5-(2-methoxyphenyl)pyrrolidine-2,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)(hydroxy)methylidene]-5-(2-methoxyphenyl)pyrrolidine-2,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.