3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-nitrophenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
TL;DR: 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-nitrophenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one (CAS 618367-99-0) is a chemical compound with molecular formula C25H17N3O6 and molecular weight 455.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-nitrophenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
Also Known As: 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-nitrophenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one, 4-(benzo[d]furan-2-ylcarbonyl)-3-hydroxy-5-(3-nitrophenyl)-1-(3-pyridylmethyl) -3-pyrrolin-2-one, 4-(benzofuran-2-carbonyl)-3-hydroxy-5-(3-nitrophenyl)-1-(pyridin-3-ylmethyl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C25H17N3O6 |
|---|---|
| Molecular Weight | 455.11 g/mol |
| LogP | 4.5145 |
| Topological Polar Surface Area | 126.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 455.11172 |
| Heavy Atoms | 34 |
| Complexity | 1441.3097 |
Chemical Identifiers
| CAS Number | 618367-99-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(O2)C(=O)C3=C(C(=O)N(C3C4=CC(=CC=C4)[N+](=O)[O-])CC5=CN=CC=C5)O |
Product Overview
3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-nitrophenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one (CAS 618367-99-0), with molecular formula C25H17N3O6 and molecular weight 455.11 g/mol. IUPAC: 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-nitrophenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one.
Chemical Property Profile of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-nitrophenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
Property Insights of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-nitrophenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
The XLogP value of 4.5145 indicates that 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-nitrophenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-nitrophenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one. Following Lipinski's Rule of Five, 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-nitrophenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-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 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-nitrophenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one?
The CAS number of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-nitrophenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one is 618367-99-0.
What is the molecular formula of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-nitrophenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one?
The molecular formula of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-nitrophenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one is C25H17N3O6.
What is the molecular weight of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-nitrophenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one?
The molecular weight of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-nitrophenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one is 455.11 g/mol.
Where can I buy 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-nitrophenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one?
You can request a quote for 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-nitrophenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-nitrophenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-nitrophenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.