![1-(6-ethylbenzo[d]thiazol-2-yl)-4-(4-fluorobenzoyl)-3-hydroxy-5-(4-isopropoxyphenyl)-1H-pyrrol-2(5H)-one structure](/static/products/618/618420-85-2.png)
1-(6-ethylbenzo[d]thiazol-2-yl)-4-(4-fluorobenzoyl)-3-hydroxy-5-(4-isopropoxyphenyl)-1H-pyrrol-2(5H)-one
TL;DR: 1-(6-ethylbenzo[d]thiazol-2-yl)-4-(4-fluorobenzoyl)-3-hydroxy-5-(4-isopropoxyphenyl)-1H-pyrrol-2(5H)-one (CAS 618420-85-2) is a chemical compound with molecular formula C29H25FN2O4S and molecular weight 516.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-1-(6-ethyl-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(4-propan-2-yloxyphenyl)pyrrolidine-2,3-dione
Also Known As: 1-(6-ethylbenzo[d]thiazol-2-yl)-4-(4-fluorobenzoyl)-3-hydroxy-5-(4-isopropoxyphenyl)-1H-pyrrol-2(5H)-one, (4E)-1-(6-ethyl-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)(hydroxy)methylidene]-5-[4-(propan-2-yloxy)phenyl]pyrrolidine-2,3-dione, (4E)-1-(6-ethyl-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(4-propan-2-yloxyphenyl)pyrrolidine-2,3-dione, 1-(6-ethylbenzothiazol-2-yl)-4-[(4-fluorophenyl)carbonyl]-3-hydroxy-5-[4-(meth ylethoxy)phenyl]-3-pyrrolin-2-one
| Molecular Formula | C29H25FN2O4S |
|---|---|
| Molecular Weight | 516.15 g/mol |
| LogP | 6.4113 |
| Topological Polar Surface Area | 79.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 516.1519 |
| Heavy Atoms | 37 |
| Complexity | 1524.0602 |
Chemical Identifiers
| CAS Number | 618420-85-2 |
|---|---|
| SMILES | CCC1=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)OC(C)C |
Product Overview
1-(6-ethylbenzo[d]thiazol-2-yl)-4-(4-fluorobenzoyl)-3-hydroxy-5-(4-isopropoxyphenyl)-1H-pyrrol-2(5H)-one (CAS 618420-85-2), with molecular formula C29H25FN2O4S and molecular weight 516.15 g/mol. IUPAC: (4E)-1-(6-ethyl-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(4-propan-2-yloxyphenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of 1-(6-ethylbenzo[d]thiazol-2-yl)-4-(4-fluorobenzoyl)-3-hydroxy-5-(4-isopropoxyphenyl)-1H-pyrrol-2(5H)-one
Property Insights of 1-(6-ethylbenzo[d]thiazol-2-yl)-4-(4-fluorobenzoyl)-3-hydroxy-5-(4-isopropoxyphenyl)-1H-pyrrol-2(5H)-one
The XLogP value of 6.4113 indicates that 1-(6-ethylbenzo[d]thiazol-2-yl)-4-(4-fluorobenzoyl)-3-hydroxy-5-(4-isopropoxyphenyl)-1H-pyrrol-2(5H)-one 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 1-(6-ethylbenzo[d]thiazol-2-yl)-4-(4-fluorobenzoyl)-3-hydroxy-5-(4-isopropoxyphenyl)-1H-pyrrol-2(5H)-one. Following Lipinski's Rule of Five, 1-(6-ethylbenzo[d]thiazol-2-yl)-4-(4-fluorobenzoyl)-3-hydroxy-5-(4-isopropoxyphenyl)-1H-pyrrol-2(5H)-one has 1 hydrogen bond donor(s) and 6 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-ethylbenzo[d]thiazol-2-yl)-4-(4-fluorobenzoyl)-3-hydroxy-5-(4-isopropoxyphenyl)-1H-pyrrol-2(5H)-one?
The CAS number of 1-(6-ethylbenzo[d]thiazol-2-yl)-4-(4-fluorobenzoyl)-3-hydroxy-5-(4-isopropoxyphenyl)-1H-pyrrol-2(5H)-one is 618420-85-2.
What is the molecular formula of 1-(6-ethylbenzo[d]thiazol-2-yl)-4-(4-fluorobenzoyl)-3-hydroxy-5-(4-isopropoxyphenyl)-1H-pyrrol-2(5H)-one?
The molecular formula of 1-(6-ethylbenzo[d]thiazol-2-yl)-4-(4-fluorobenzoyl)-3-hydroxy-5-(4-isopropoxyphenyl)-1H-pyrrol-2(5H)-one is C29H25FN2O4S.
What is the molecular weight of 1-(6-ethylbenzo[d]thiazol-2-yl)-4-(4-fluorobenzoyl)-3-hydroxy-5-(4-isopropoxyphenyl)-1H-pyrrol-2(5H)-one?
The molecular weight of 1-(6-ethylbenzo[d]thiazol-2-yl)-4-(4-fluorobenzoyl)-3-hydroxy-5-(4-isopropoxyphenyl)-1H-pyrrol-2(5H)-one is 516.15 g/mol.
Where can I buy 1-(6-ethylbenzo[d]thiazol-2-yl)-4-(4-fluorobenzoyl)-3-hydroxy-5-(4-isopropoxyphenyl)-1H-pyrrol-2(5H)-one?
You can request a quote for 1-(6-ethylbenzo[d]thiazol-2-yl)-4-(4-fluorobenzoyl)-3-hydroxy-5-(4-isopropoxyphenyl)-1H-pyrrol-2(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(6-ethylbenzo[d]thiazol-2-yl)-4-(4-fluorobenzoyl)-3-hydroxy-5-(4-isopropoxyphenyl)-1H-pyrrol-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(6-ethylbenzo[d]thiazol-2-yl)-4-(4-fluorobenzoyl)-3-hydroxy-5-(4-isopropoxyphenyl)-1H-pyrrol-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.