![1-(6-Ethoxy-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)(hydroxy)methylidene]-5-(4-ethylphenyl)pyrrolidine-2,3-dione structure](/static/products/7017/7017-98-3.webp)
1-(6-Ethoxy-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)(hydroxy)methylidene]-5-(4-ethylphenyl)pyrrolidine-2,3-dione
TL;DR: 1-(6-Ethoxy-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)(hydroxy)methylidene]-5-(4-ethylphenyl)pyrrolidine-2,3-dione (CAS 7017-98-3) is a chemical compound with molecular formula C30H28N2O5S and molecular weight 528.17 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-[(3-ethoxyphenyl)-hydroxymethylidene]-5-(4-ethylphenyl)pyrrolidine-2,3-dione
Also Known As: 1-(6-Ethoxy-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)(hydroxy)methylidene]-5-(4-ethylphenyl)pyrrolidine-2,3-dione, 1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)-hydroxymethylidene]-5-(4-ethylphenyl)pyrrolidine-2,3-dione
| Molecular Formula | C30H28N2O5S |
|---|---|
| Molecular Weight | 528.17 g/mol |
| LogP | 6.2824 |
| Topological Polar Surface Area | 88.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 528.1719 |
| Heavy Atoms | 38 |
| Complexity | 1540.0468 |
Chemical Identifiers
| CAS Number | 7017-98-3 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C2C(=C(C3=CC(=CC=C3)OCC)O)C(=O)C(=O)N2C4=NC5=C(S4)C=C(C=C5)OCC |
Product Overview
1-(6-Ethoxy-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)(hydroxy)methylidene]-5-(4-ethylphenyl)pyrrolidine-2,3-dione (CAS 7017-98-3), with molecular formula C30H28N2O5S and molecular weight 528.17 g/mol. IUPAC: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)-hydroxymethylidene]-5-(4-ethylphenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of 1-(6-Ethoxy-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)(hydroxy)methylidene]-5-(4-ethylphenyl)pyrrolidine-2,3-dione
Property Insights of 1-(6-Ethoxy-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)(hydroxy)methylidene]-5-(4-ethylphenyl)pyrrolidine-2,3-dione
The XLogP value of 6.2824 indicates that 1-(6-Ethoxy-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)(hydroxy)methylidene]-5-(4-ethylphenyl)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-[(3-ethoxyphenyl)(hydroxy)methylidene]-5-(4-ethylphenyl)pyrrolidine-2,3-dione. Following Lipinski's Rule of Five, 1-(6-Ethoxy-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)(hydroxy)methylidene]-5-(4-ethylphenyl)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-[(3-ethoxyphenyl)(hydroxy)methylidene]-5-(4-ethylphenyl)pyrrolidine-2,3-dione?
The CAS number of 1-(6-Ethoxy-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)(hydroxy)methylidene]-5-(4-ethylphenyl)pyrrolidine-2,3-dione is 7017-98-3.
What is the molecular formula of 1-(6-Ethoxy-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)(hydroxy)methylidene]-5-(4-ethylphenyl)pyrrolidine-2,3-dione?
The molecular formula of 1-(6-Ethoxy-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)(hydroxy)methylidene]-5-(4-ethylphenyl)pyrrolidine-2,3-dione is C30H28N2O5S.
What is the molecular weight of 1-(6-Ethoxy-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)(hydroxy)methylidene]-5-(4-ethylphenyl)pyrrolidine-2,3-dione?
The molecular weight of 1-(6-Ethoxy-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)(hydroxy)methylidene]-5-(4-ethylphenyl)pyrrolidine-2,3-dione is 528.17 g/mol.
Where can I buy 1-(6-Ethoxy-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)(hydroxy)methylidene]-5-(4-ethylphenyl)pyrrolidine-2,3-dione?
You can request a quote for 1-(6-Ethoxy-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)(hydroxy)methylidene]-5-(4-ethylphenyl)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-[(3-ethoxyphenyl)(hydroxy)methylidene]-5-(4-ethylphenyl)pyrrolidine-2,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(6-Ethoxy-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)(hydroxy)methylidene]-5-(4-ethylphenyl)pyrrolidine-2,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.