![(4E)-5-(3-chlorophenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[hydroxy(thiophen-2-yl)methylidene]pyrrolidine-2,3-dione structure](/static/products/5141/514191-91-4.webp)
(4E)-5-(3-chlorophenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[hydroxy(thiophen-2-yl)methylidene]pyrrolidine-2,3-dione
TL;DR: (4E)-5-(3-chlorophenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[hydroxy(thiophen-2-yl)methylidene]pyrrolidine-2,3-dione (CAS 514191-91-4) is a chemical compound with molecular formula C24H17ClN2O4S2 and molecular weight 496.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-chlorophenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
Also Known As: (4E)-5-(3-chlorophenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[hydroxy(thiophen-2-yl)methylidene]pyrrolidine-2,3-dione, 2-(3-chlorophenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one, 5-(3-chlorophenyl)-1-(6-ethoxybenzo[d]thiazol-2-yl)-3-hydroxy-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one, 5-(3-chlorophenyl)-1-(6-ethoxybenzothiazol-2-yl)-3-hydroxy-4-(2-thienylcarbony l)-3-pyrrolin-2-one
| Molecular Formula | C24H17ClN2O4S2 |
|---|---|
| Molecular Weight | 496.03 g/mol |
| LogP | 6.1928 |
| Topological Polar Surface Area | 79.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 496.03183 |
| Heavy Atoms | 33 |
| Complexity | 1411.1255 |
Chemical Identifiers
| CAS Number | 514191-91-4 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C3=O)O)C(=O)C4=CC=CS4)C5=CC(=CC=C5)Cl |
Product Overview
(4E)-5-(3-chlorophenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[hydroxy(thiophen-2-yl)methylidene]pyrrolidine-2,3-dione (CAS 514191-91-4), with molecular formula C24H17ClN2O4S2 and molecular weight 496.03 g/mol. IUPAC: 2-(3-chlorophenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
Chemical Property Profile of (4E)-5-(3-chlorophenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[hydroxy(thiophen-2-yl)methylidene]pyrrolidine-2,3-dione
Property Insights of (4E)-5-(3-chlorophenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[hydroxy(thiophen-2-yl)methylidene]pyrrolidine-2,3-dione
The XLogP value of 6.1928 indicates that (4E)-5-(3-chlorophenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[hydroxy(thiophen-2-yl)methylidene]pyrrolidine-2,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.73 Ų falls within the moderate polarity range, balancing permeability and solubility for (4E)-5-(3-chlorophenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[hydroxy(thiophen-2-yl)methylidene]pyrrolidine-2,3-dione. Following Lipinski's Rule of Five, (4E)-5-(3-chlorophenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[hydroxy(thiophen-2-yl)methylidene]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 (4E)-5-(3-chlorophenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[hydroxy(thiophen-2-yl)methylidene]pyrrolidine-2,3-dione?
The CAS number of (4E)-5-(3-chlorophenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[hydroxy(thiophen-2-yl)methylidene]pyrrolidine-2,3-dione is 514191-91-4.
What is the molecular formula of (4E)-5-(3-chlorophenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[hydroxy(thiophen-2-yl)methylidene]pyrrolidine-2,3-dione?
The molecular formula of (4E)-5-(3-chlorophenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[hydroxy(thiophen-2-yl)methylidene]pyrrolidine-2,3-dione is C24H17ClN2O4S2.
What is the molecular weight of (4E)-5-(3-chlorophenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[hydroxy(thiophen-2-yl)methylidene]pyrrolidine-2,3-dione?
The molecular weight of (4E)-5-(3-chlorophenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[hydroxy(thiophen-2-yl)methylidene]pyrrolidine-2,3-dione is 496.03 g/mol.
Where can I buy (4E)-5-(3-chlorophenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[hydroxy(thiophen-2-yl)methylidene]pyrrolidine-2,3-dione?
You can request a quote for (4E)-5-(3-chlorophenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[hydroxy(thiophen-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-chlorophenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[hydroxy(thiophen-2-yl)methylidene]pyrrolidine-2,3-dione?
Yes, KEHONG BIO provides custom synthesis services for (4E)-5-(3-chlorophenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[hydroxy(thiophen-2-yl)methylidene]pyrrolidine-2,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.