5-(3-Chlorophenyl)-1-(6-fluorobenzothiazol-2-yl)-4-(2-furylcarbonyl)-3-hydroxy-3-pyrrolin-2-one
TL;DR: 5-(3-Chlorophenyl)-1-(6-fluorobenzothiazol-2-yl)-4-(2-furylcarbonyl)-3-hydroxy-3-pyrrolin-2-one (CAS 514191-31-2) is a chemical compound with molecular formula C22H12ClFN2O4S and molecular weight 454.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-chlorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one
Also Known As: 5-(3-Chlorophenyl)-1-(6-fluorobenzothiazol-2-yl)-4-(2-furylcarbonyl)-3-hydroxy-3-pyrrolin-2-one, (4E)-5-(3-chlorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[furan-2-yl(hydroxy)methylidene]pyrrolidine-2,3-dione, 2-(3-chlorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one, 5-(3-chlorophenyl)-1-(6-fluorobenzo[d]thiazol-2-yl)-4-(furan-2-carbonyl)-3-hydroxy-1H-pyrrol-2(5H)-one, 5-(3-chlorophenyl)-1-(6-fluorobenzothiazol-2-yl)-4-(2-furylcarbonyl)-3-hydroxy -3-pyrrolin-2-one
| Molecular Formula | C22H12ClFN2O4S |
|---|---|
| Molecular Weight | 454.02 g/mol |
| LogP | 5.4647 |
| Topological Polar Surface Area | 83.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 454.01904 |
| Heavy Atoms | 31 |
| Complexity | 1379.4423 |
Chemical Identifiers
| CAS Number | 514191-31-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)C2C(=C(C(=O)N2C3=NC4=C(S3)C=C(C=C4)F)O)C(=O)C5=CC=CO5 |
Product Overview
5-(3-Chlorophenyl)-1-(6-fluorobenzothiazol-2-yl)-4-(2-furylcarbonyl)-3-hydroxy-3-pyrrolin-2-one (CAS 514191-31-2), with molecular formula C22H12ClFN2O4S and molecular weight 454.02 g/mol. IUPAC: 2-(3-chlorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one.
Chemical Property Profile of 5-(3-Chlorophenyl)-1-(6-fluorobenzothiazol-2-yl)-4-(2-furylcarbonyl)-3-hydroxy-3-pyrrolin-2-one
Property Insights of 5-(3-Chlorophenyl)-1-(6-fluorobenzothiazol-2-yl)-4-(2-furylcarbonyl)-3-hydroxy-3-pyrrolin-2-one
The XLogP value of 5.4647 indicates that 5-(3-Chlorophenyl)-1-(6-fluorobenzothiazol-2-yl)-4-(2-furylcarbonyl)-3-hydroxy-3-pyrrolin-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3-Chlorophenyl)-1-(6-fluorobenzothiazol-2-yl)-4-(2-furylcarbonyl)-3-hydroxy-3-pyrrolin-2-one. Following Lipinski's Rule of Five, 5-(3-Chlorophenyl)-1-(6-fluorobenzothiazol-2-yl)-4-(2-furylcarbonyl)-3-hydroxy-3-pyrrolin-2-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 5-(3-Chlorophenyl)-1-(6-fluorobenzothiazol-2-yl)-4-(2-furylcarbonyl)-3-hydroxy-3-pyrrolin-2-one?
The CAS number of 5-(3-Chlorophenyl)-1-(6-fluorobenzothiazol-2-yl)-4-(2-furylcarbonyl)-3-hydroxy-3-pyrrolin-2-one is 514191-31-2.
What is the molecular formula of 5-(3-Chlorophenyl)-1-(6-fluorobenzothiazol-2-yl)-4-(2-furylcarbonyl)-3-hydroxy-3-pyrrolin-2-one?
The molecular formula of 5-(3-Chlorophenyl)-1-(6-fluorobenzothiazol-2-yl)-4-(2-furylcarbonyl)-3-hydroxy-3-pyrrolin-2-one is C22H12ClFN2O4S.
What is the molecular weight of 5-(3-Chlorophenyl)-1-(6-fluorobenzothiazol-2-yl)-4-(2-furylcarbonyl)-3-hydroxy-3-pyrrolin-2-one?
The molecular weight of 5-(3-Chlorophenyl)-1-(6-fluorobenzothiazol-2-yl)-4-(2-furylcarbonyl)-3-hydroxy-3-pyrrolin-2-one is 454.02 g/mol.
Where can I buy 5-(3-Chlorophenyl)-1-(6-fluorobenzothiazol-2-yl)-4-(2-furylcarbonyl)-3-hydroxy-3-pyrrolin-2-one?
You can request a quote for 5-(3-Chlorophenyl)-1-(6-fluorobenzothiazol-2-yl)-4-(2-furylcarbonyl)-3-hydroxy-3-pyrrolin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3-Chlorophenyl)-1-(6-fluorobenzothiazol-2-yl)-4-(2-furylcarbonyl)-3-hydroxy-3-pyrrolin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-Chlorophenyl)-1-(6-fluorobenzothiazol-2-yl)-4-(2-furylcarbonyl)-3-hydroxy-3-pyrrolin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.