![1-(6-Chloro-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)(hydroxy)methylidene]-5-[4-(pentyloxy)phenyl]pyrrolidine-2,3-dione structure](/static/products/7018/7018-33-9.webp)
1-(6-Chloro-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)(hydroxy)methylidene]-5-[4-(pentyloxy)phenyl]pyrrolidine-2,3-dione
TL;DR: 1-(6-Chloro-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)(hydroxy)methylidene]-5-[4-(pentyloxy)phenyl]pyrrolidine-2,3-dione (CAS 7018-33-9) is a chemical compound with molecular formula C31H29ClN2O5S and molecular weight 576.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(6-chloro-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)-hydroxymethylidene]-5-(4-pentoxyphenyl)pyrrolidine-2,3-dione
Also Known As: 1-(6-Chloro-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)(hydroxy)methylidene]-5-[4-(pentyloxy)phenyl]pyrrolidine-2,3-dione, 1-(6-chloro-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)-hydroxymethylidene]-5-(4-pentoxyphenyl)pyrrolidine-2,3-dione
| Molecular Formula | C31H29ClN2O5S |
|---|---|
| Molecular Weight | 576.15 g/mol |
| LogP | 7.5437 |
| Topological Polar Surface Area | 88.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 576.14856 |
| Heavy Atoms | 40 |
| Complexity | 1580.406 |
Chemical Identifiers
| CAS Number | 7018-33-9 |
|---|---|
| SMILES | CCCCCOC1=CC=C(C=C1)C2C(=C(C3=CC(=CC=C3)OCC)O)C(=O)C(=O)N2C4=NC5=C(S4)C=C(C=C5)Cl |
Product Overview
1-(6-Chloro-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)(hydroxy)methylidene]-5-[4-(pentyloxy)phenyl]pyrrolidine-2,3-dione (CAS 7018-33-9), with molecular formula C31H29ClN2O5S and molecular weight 576.15 g/mol. IUPAC: 1-(6-chloro-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)-hydroxymethylidene]-5-(4-pentoxyphenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of 1-(6-Chloro-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)(hydroxy)methylidene]-5-[4-(pentyloxy)phenyl]pyrrolidine-2,3-dione
Property Insights of 1-(6-Chloro-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)(hydroxy)methylidene]-5-[4-(pentyloxy)phenyl]pyrrolidine-2,3-dione
The XLogP value of 7.5437 indicates that 1-(6-Chloro-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)(hydroxy)methylidene]-5-[4-(pentyloxy)phenyl]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-Chloro-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)(hydroxy)methylidene]-5-[4-(pentyloxy)phenyl]pyrrolidine-2,3-dione. Following Lipinski's Rule of Five, 1-(6-Chloro-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)(hydroxy)methylidene]-5-[4-(pentyloxy)phenyl]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-Chloro-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)(hydroxy)methylidene]-5-[4-(pentyloxy)phenyl]pyrrolidine-2,3-dione?
The CAS number of 1-(6-Chloro-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)(hydroxy)methylidene]-5-[4-(pentyloxy)phenyl]pyrrolidine-2,3-dione is 7018-33-9.
What is the molecular formula of 1-(6-Chloro-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)(hydroxy)methylidene]-5-[4-(pentyloxy)phenyl]pyrrolidine-2,3-dione?
The molecular formula of 1-(6-Chloro-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)(hydroxy)methylidene]-5-[4-(pentyloxy)phenyl]pyrrolidine-2,3-dione is C31H29ClN2O5S.
What is the molecular weight of 1-(6-Chloro-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)(hydroxy)methylidene]-5-[4-(pentyloxy)phenyl]pyrrolidine-2,3-dione?
The molecular weight of 1-(6-Chloro-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)(hydroxy)methylidene]-5-[4-(pentyloxy)phenyl]pyrrolidine-2,3-dione is 576.15 g/mol.
Where can I buy 1-(6-Chloro-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)(hydroxy)methylidene]-5-[4-(pentyloxy)phenyl]pyrrolidine-2,3-dione?
You can request a quote for 1-(6-Chloro-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)(hydroxy)methylidene]-5-[4-(pentyloxy)phenyl]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-Chloro-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)(hydroxy)methylidene]-5-[4-(pentyloxy)phenyl]pyrrolidine-2,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(6-Chloro-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)(hydroxy)methylidene]-5-[4-(pentyloxy)phenyl]pyrrolidine-2,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.