methyl 4-(3-(benzofuran-2-carbonyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate
TL;DR: methyl 4-(3-(benzofuran-2-carbonyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate (CAS 618368-34-6) is a chemical compound with molecular formula C27H20N2O6 and molecular weight 468.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[3-(1-benzofuran-2-carbonyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2H-pyrrol-2-yl]benzoate
Also Known As: methyl 4-(3-(benzofuran-2-carbonyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate, methyl 4-[(3E)-3-[1-benzofuran-2-yl(hydroxy)methylidene]-4,5-dioxo-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]benzoate, methyl 4-[3-(1-benzofuran-2-carbonyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2H-pyrrol-2-yl]benzoate, Methyl 4-[3-(benzofuran-2-carbonyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2H-pyrrol-2-yl]benzoate
| Molecular Formula | C27H20N2O6 |
|---|---|
| Molecular Weight | 468.13 g/mol |
| LogP | 4.3929 |
| Topological Polar Surface Area | 109.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 468.13214 |
| Heavy Atoms | 35 |
| Complexity | 1437.606 |
Chemical Identifiers
| CAS Number | 618368-34-6 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C2C(=C(C(=O)N2CC3=CN=CC=C3)O)C(=O)C4=CC5=CC=CC=C5O4 |
Product Overview
methyl 4-(3-(benzofuran-2-carbonyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate (CAS 618368-34-6), with molecular formula C27H20N2O6 and molecular weight 468.13 g/mol. IUPAC: methyl 4-[3-(1-benzofuran-2-carbonyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2H-pyrrol-2-yl]benzoate.
Chemical Property Profile of methyl 4-(3-(benzofuran-2-carbonyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate
Property Insights of methyl 4-(3-(benzofuran-2-carbonyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate
The XLogP value of 4.3929 indicates that methyl 4-(3-(benzofuran-2-carbonyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.94 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(3-(benzofuran-2-carbonyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate. Following Lipinski's Rule of Five, methyl 4-(3-(benzofuran-2-carbonyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate 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 methyl 4-(3-(benzofuran-2-carbonyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
The CAS number of methyl 4-(3-(benzofuran-2-carbonyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate is 618368-34-6.
What is the molecular formula of methyl 4-(3-(benzofuran-2-carbonyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
The molecular formula of methyl 4-(3-(benzofuran-2-carbonyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate is C27H20N2O6.
What is the molecular weight of methyl 4-(3-(benzofuran-2-carbonyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
The molecular weight of methyl 4-(3-(benzofuran-2-carbonyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate is 468.13 g/mol.
Where can I buy methyl 4-(3-(benzofuran-2-carbonyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
You can request a quote for methyl 4-(3-(benzofuran-2-carbonyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-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-(3-(benzofuran-2-carbonyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(3-(benzofuran-2-carbonyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.