![Methyl 4-[1-(6-fluorobenzothiazol-2-yl)-4-hydroxy-5-oxo-3-(2-thienylcarbonyl)-3-pyrrolin-2-yl]benzoate structure](/static/products/5141/514191-83-4.webp)
Methyl 4-[1-(6-fluorobenzothiazol-2-yl)-4-hydroxy-5-oxo-3-(2-thienylcarbonyl)-3-pyrrolin-2-yl]benzoate
TL;DR: Methyl 4-[1-(6-fluorobenzothiazol-2-yl)-4-hydroxy-5-oxo-3-(2-thienylcarbonyl)-3-pyrrolin-2-yl]benzoate (CAS 514191-83-4) is a chemical compound with molecular formula C24H15FN2O5S2 and molecular weight 494.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[1-(6-fluoro-1,3-benzothiazol-2-yl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-2-yl]benzoate
Also Known As: Methyl 4-[1-(6-fluorobenzothiazol-2-yl)-4-hydroxy-5-oxo-3-(2-thienylcarbonyl)-3-pyrrolin-2-yl]benzoate, methyl 4-(1-(6-fluorobenzo[d]thiazol-2-yl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate, methyl 4-[1-(6-fluoro-1,3-benzothiazol-2-yl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-2-yl]benzoate, methyl 4-[1-(6-fluorobenzothiazol-2-yl)-4-hydroxy-5-oxo-3-(2-thienylcarbonyl)- 3-pyrrolin-2-yl]benzoate, methyl 4-{(3E)-1-(6-fluoro-1,3-benzothiazol-2-yl)-3-[hydroxy(thiophen-2-yl)methylidene]-4,5-dioxopyrrolidin-2-yl}benzoate
| Molecular Formula | C24H15FN2O5S2 |
|---|---|
| Molecular Weight | 494.04 g/mol |
| LogP | 5.0664 |
| Topological Polar Surface Area | 96.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 494.04065 |
| Heavy Atoms | 34 |
| Complexity | 1475.063 |
Chemical Identifiers
| CAS Number | 514191-83-4 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C2C(=C(C(=O)N2C3=NC4=C(S3)C=C(C=C4)F)O)C(=O)C5=CC=CS5 |
Product Overview
Methyl 4-[1-(6-fluorobenzothiazol-2-yl)-4-hydroxy-5-oxo-3-(2-thienylcarbonyl)-3-pyrrolin-2-yl]benzoate (CAS 514191-83-4), with molecular formula C24H15FN2O5S2 and molecular weight 494.04 g/mol. IUPAC: methyl 4-[1-(6-fluoro-1,3-benzothiazol-2-yl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-2-yl]benzoate.
Chemical Property Profile of Methyl 4-[1-(6-fluorobenzothiazol-2-yl)-4-hydroxy-5-oxo-3-(2-thienylcarbonyl)-3-pyrrolin-2-yl]benzoate
Property Insights of Methyl 4-[1-(6-fluorobenzothiazol-2-yl)-4-hydroxy-5-oxo-3-(2-thienylcarbonyl)-3-pyrrolin-2-yl]benzoate
The XLogP value of 5.0664 indicates that Methyl 4-[1-(6-fluorobenzothiazol-2-yl)-4-hydroxy-5-oxo-3-(2-thienylcarbonyl)-3-pyrrolin-2-yl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[1-(6-fluorobenzothiazol-2-yl)-4-hydroxy-5-oxo-3-(2-thienylcarbonyl)-3-pyrrolin-2-yl]benzoate. Following Lipinski's Rule of Five, Methyl 4-[1-(6-fluorobenzothiazol-2-yl)-4-hydroxy-5-oxo-3-(2-thienylcarbonyl)-3-pyrrolin-2-yl]benzoate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 4-[1-(6-fluorobenzothiazol-2-yl)-4-hydroxy-5-oxo-3-(2-thienylcarbonyl)-3-pyrrolin-2-yl]benzoate?
The CAS number of Methyl 4-[1-(6-fluorobenzothiazol-2-yl)-4-hydroxy-5-oxo-3-(2-thienylcarbonyl)-3-pyrrolin-2-yl]benzoate is 514191-83-4.
What is the molecular formula of Methyl 4-[1-(6-fluorobenzothiazol-2-yl)-4-hydroxy-5-oxo-3-(2-thienylcarbonyl)-3-pyrrolin-2-yl]benzoate?
The molecular formula of Methyl 4-[1-(6-fluorobenzothiazol-2-yl)-4-hydroxy-5-oxo-3-(2-thienylcarbonyl)-3-pyrrolin-2-yl]benzoate is C24H15FN2O5S2.
What is the molecular weight of Methyl 4-[1-(6-fluorobenzothiazol-2-yl)-4-hydroxy-5-oxo-3-(2-thienylcarbonyl)-3-pyrrolin-2-yl]benzoate?
The molecular weight of Methyl 4-[1-(6-fluorobenzothiazol-2-yl)-4-hydroxy-5-oxo-3-(2-thienylcarbonyl)-3-pyrrolin-2-yl]benzoate is 494.04 g/mol.
Where can I buy Methyl 4-[1-(6-fluorobenzothiazol-2-yl)-4-hydroxy-5-oxo-3-(2-thienylcarbonyl)-3-pyrrolin-2-yl]benzoate?
You can request a quote for Methyl 4-[1-(6-fluorobenzothiazol-2-yl)-4-hydroxy-5-oxo-3-(2-thienylcarbonyl)-3-pyrrolin-2-yl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-[1-(6-fluorobenzothiazol-2-yl)-4-hydroxy-5-oxo-3-(2-thienylcarbonyl)-3-pyrrolin-2-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[1-(6-fluorobenzothiazol-2-yl)-4-hydroxy-5-oxo-3-(2-thienylcarbonyl)-3-pyrrolin-2-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.