1-(6-Fluorobenzothiazol-2-yl)-4-(2-furylcarbonyl)-3-hydroxy-5-(3-methoxyphenyl)-3-pyrrolin-2-one
TL;DR: 1-(6-Fluorobenzothiazol-2-yl)-4-(2-furylcarbonyl)-3-hydroxy-5-(3-methoxyphenyl)-3-pyrrolin-2-one (CAS 514191-38-9) is a chemical compound with molecular formula C23H15FN2O5S and molecular weight 450.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(6-fluoro-1,3-benzothiazol-2-yl)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-2H-pyrrol-5-one
Also Known As: 1-(6-Fluorobenzothiazol-2-yl)-4-(2-furylcarbonyl)-3-hydroxy-5-(3-methoxyphenyl)-3-pyrrolin-2-one, (4E)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[furan-2-yl(hydroxy)methylidene]-5-(3-methoxyphenyl)pyrrolidine-2,3-dione, 1-(6-fluoro-1,3-benzothiazol-2-yl)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-2H-pyrrol-5-one, 1-(6-fluorobenzo[d]thiazol-2-yl)-4-(furan-2-carbonyl)-3-hydroxy-5-(3-methoxyphenyl)-1H-pyrrol-2(5H)-one, 1-(6-fluorobenzothiazol-2-yl)-4-(2-furylcarbonyl)-3-hydroxy-5-(3-methoxyphenyl )-3-pyrrolin-2-one
| Molecular Formula | C23H15FN2O5S |
|---|---|
| Molecular Weight | 450.07 g/mol |
| LogP | 4.8199 |
| Topological Polar Surface Area | 92.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 450.06857 |
| Heavy Atoms | 32 |
| Complexity | 1392.6696 |
Chemical Identifiers
| CAS Number | 514191-38-9 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C2C(=C(C(=O)N2C3=NC4=C(S3)C=C(C=C4)F)O)C(=O)C5=CC=CO5 |
Product Overview
1-(6-Fluorobenzothiazol-2-yl)-4-(2-furylcarbonyl)-3-hydroxy-5-(3-methoxyphenyl)-3-pyrrolin-2-one (CAS 514191-38-9), with molecular formula C23H15FN2O5S and molecular weight 450.07 g/mol. IUPAC: 1-(6-fluoro-1,3-benzothiazol-2-yl)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-2H-pyrrol-5-one.
Chemical Property Profile of 1-(6-Fluorobenzothiazol-2-yl)-4-(2-furylcarbonyl)-3-hydroxy-5-(3-methoxyphenyl)-3-pyrrolin-2-one
Property Insights of 1-(6-Fluorobenzothiazol-2-yl)-4-(2-furylcarbonyl)-3-hydroxy-5-(3-methoxyphenyl)-3-pyrrolin-2-one
The XLogP value of 4.8199 indicates that 1-(6-Fluorobenzothiazol-2-yl)-4-(2-furylcarbonyl)-3-hydroxy-5-(3-methoxyphenyl)-3-pyrrolin-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(6-Fluorobenzothiazol-2-yl)-4-(2-furylcarbonyl)-3-hydroxy-5-(3-methoxyphenyl)-3-pyrrolin-2-one. Following Lipinski's Rule of Five, 1-(6-Fluorobenzothiazol-2-yl)-4-(2-furylcarbonyl)-3-hydroxy-5-(3-methoxyphenyl)-3-pyrrolin-2-one has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(6-Fluorobenzothiazol-2-yl)-4-(2-furylcarbonyl)-3-hydroxy-5-(3-methoxyphenyl)-3-pyrrolin-2-one?
The CAS number of 1-(6-Fluorobenzothiazol-2-yl)-4-(2-furylcarbonyl)-3-hydroxy-5-(3-methoxyphenyl)-3-pyrrolin-2-one is 514191-38-9.
What is the molecular formula of 1-(6-Fluorobenzothiazol-2-yl)-4-(2-furylcarbonyl)-3-hydroxy-5-(3-methoxyphenyl)-3-pyrrolin-2-one?
The molecular formula of 1-(6-Fluorobenzothiazol-2-yl)-4-(2-furylcarbonyl)-3-hydroxy-5-(3-methoxyphenyl)-3-pyrrolin-2-one is C23H15FN2O5S.
What is the molecular weight of 1-(6-Fluorobenzothiazol-2-yl)-4-(2-furylcarbonyl)-3-hydroxy-5-(3-methoxyphenyl)-3-pyrrolin-2-one?
The molecular weight of 1-(6-Fluorobenzothiazol-2-yl)-4-(2-furylcarbonyl)-3-hydroxy-5-(3-methoxyphenyl)-3-pyrrolin-2-one is 450.07 g/mol.
Where can I buy 1-(6-Fluorobenzothiazol-2-yl)-4-(2-furylcarbonyl)-3-hydroxy-5-(3-methoxyphenyl)-3-pyrrolin-2-one?
You can request a quote for 1-(6-Fluorobenzothiazol-2-yl)-4-(2-furylcarbonyl)-3-hydroxy-5-(3-methoxyphenyl)-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 1-(6-Fluorobenzothiazol-2-yl)-4-(2-furylcarbonyl)-3-hydroxy-5-(3-methoxyphenyl)-3-pyrrolin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(6-Fluorobenzothiazol-2-yl)-4-(2-furylcarbonyl)-3-hydroxy-5-(3-methoxyphenyl)-3-pyrrolin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.