![methyl 4-(1-(6-fluorobenzo[d]thiazol-2-yl)-4-hydroxy-3-(4-methoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate structure](/static/products/514/514191-05-0.png)
methyl 4-(1-(6-fluorobenzo[d]thiazol-2-yl)-4-hydroxy-3-(4-methoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate
TL;DR: methyl 4-(1-(6-fluorobenzo[d]thiazol-2-yl)-4-hydroxy-3-(4-methoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate (CAS 514191-05-0) is a chemical compound with molecular formula C27H19FN2O6S and molecular weight 518.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(3E)-1-(6-fluoro-1,3-benzothiazol-2-yl)-3-[hydroxy-(4-methoxyphenyl)methylidene]-4,5-dioxopyrrolidin-2-yl]benzoate
Also Known As: methyl 4-(1-(6-fluorobenzo[d]thiazol-2-yl)-4-hydroxy-3-(4-methoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate, methyl 4-[(3E)-1-(6-fluoro-1,3-benzothiazol-2-yl)-3-[hydroxy-(4-methoxyphenyl)methylidene]-4,5-dioxopyrrolidin-2-yl]benzoate, methyl 4-{(3E)-1-(6-fluoro-1,3-benzothiazol-2-yl)-3-[hydroxy(4-methoxyphenyl)methylidene]-4,5-dioxopyrrolidin-2-yl}benzoate, methyl 4-{1-(6-fluorobenzothiazol-2-yl)-4-hydroxy-3-[(4-methoxyphenyl)carbonyl ]-5-oxo-3-pyrrolin-2-yl}benzoate
| Molecular Formula | C27H19FN2O6S |
|---|---|
| Molecular Weight | 518.09 g/mol |
| LogP | 4.8569 |
| Topological Polar Surface Area | 106.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 518.0948 |
| Heavy Atoms | 37 |
| Complexity | 1577.0017 |
Chemical Identifiers
| CAS Number | 514191-05-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=NC4=C(S3)C=C(C=C4)F)C5=CC=C(C=C5)C(=O)OC)/O |
Product Overview
methyl 4-(1-(6-fluorobenzo[d]thiazol-2-yl)-4-hydroxy-3-(4-methoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate (CAS 514191-05-0), with molecular formula C27H19FN2O6S and molecular weight 518.09 g/mol. IUPAC: methyl 4-[(3E)-1-(6-fluoro-1,3-benzothiazol-2-yl)-3-[hydroxy-(4-methoxyphenyl)methylidene]-4,5-dioxopyrrolidin-2-yl]benzoate.
Chemical Property Profile of methyl 4-(1-(6-fluorobenzo[d]thiazol-2-yl)-4-hydroxy-3-(4-methoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate
Property Insights of methyl 4-(1-(6-fluorobenzo[d]thiazol-2-yl)-4-hydroxy-3-(4-methoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate
The XLogP value of 4.8569 indicates that methyl 4-(1-(6-fluorobenzo[d]thiazol-2-yl)-4-hydroxy-3-(4-methoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.03 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(1-(6-fluorobenzo[d]thiazol-2-yl)-4-hydroxy-3-(4-methoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate. Following Lipinski's Rule of Five, methyl 4-(1-(6-fluorobenzo[d]thiazol-2-yl)-4-hydroxy-3-(4-methoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-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-fluorobenzo[d]thiazol-2-yl)-4-hydroxy-3-(4-methoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
The CAS number of methyl 4-(1-(6-fluorobenzo[d]thiazol-2-yl)-4-hydroxy-3-(4-methoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate is 514191-05-0.
What is the molecular formula of methyl 4-(1-(6-fluorobenzo[d]thiazol-2-yl)-4-hydroxy-3-(4-methoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
The molecular formula of methyl 4-(1-(6-fluorobenzo[d]thiazol-2-yl)-4-hydroxy-3-(4-methoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate is C27H19FN2O6S.
What is the molecular weight of methyl 4-(1-(6-fluorobenzo[d]thiazol-2-yl)-4-hydroxy-3-(4-methoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
The molecular weight of methyl 4-(1-(6-fluorobenzo[d]thiazol-2-yl)-4-hydroxy-3-(4-methoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate is 518.09 g/mol.
Where can I buy methyl 4-(1-(6-fluorobenzo[d]thiazol-2-yl)-4-hydroxy-3-(4-methoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
You can request a quote for methyl 4-(1-(6-fluorobenzo[d]thiazol-2-yl)-4-hydroxy-3-(4-methoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-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-fluorobenzo[d]thiazol-2-yl)-4-hydroxy-3-(4-methoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(1-(6-fluorobenzo[d]thiazol-2-yl)-4-hydroxy-3-(4-methoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.