1-(3-(1H-imidazol-1-yl)propyl)-4-(benzofuran-2-carbonyl)-5-(2,3-dimethoxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-one
TL;DR: 1-(3-(1H-imidazol-1-yl)propyl)-4-(benzofuran-2-carbonyl)-5-(2,3-dimethoxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-one (CAS 797764-69-3) is a chemical compound with molecular formula C27H25N3O6 and molecular weight 487.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-benzofuran-2-carbonyl)-2-(2,3-dimethoxyphenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one
Also Known As: 1-(3-(1H-imidazol-1-yl)propyl)-4-(benzofuran-2-carbonyl)-5-(2,3-dimethoxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-one, 3-(1-benzofuran-2-carbonyl)-2-(2,3-dimethoxyphenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one
| Molecular Formula | C27H25N3O6 |
|---|---|
| Molecular Weight | 487.17 g/mol |
| LogP | 4.3151 |
| Topological Polar Surface Area | 107.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 487.17435 |
| Heavy Atoms | 36 |
| Complexity | 1420.465 |
Chemical Identifiers
| CAS Number | 797764-69-3 |
|---|---|
| SMILES | COC1=CC=CC(=C1OC)C2C(=C(C(=O)N2CCCN3C=CN=C3)O)C(=O)C4=CC5=CC=CC=C5O4 |
Product Overview
1-(3-(1H-imidazol-1-yl)propyl)-4-(benzofuran-2-carbonyl)-5-(2,3-dimethoxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-one (CAS 797764-69-3), with molecular formula C27H25N3O6 and molecular weight 487.17 g/mol. IUPAC: 3-(1-benzofuran-2-carbonyl)-2-(2,3-dimethoxyphenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one.
Chemical Property Profile of 1-(3-(1H-imidazol-1-yl)propyl)-4-(benzofuran-2-carbonyl)-5-(2,3-dimethoxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-one
Property Insights of 1-(3-(1H-imidazol-1-yl)propyl)-4-(benzofuran-2-carbonyl)-5-(2,3-dimethoxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-one
The XLogP value of 4.3151 indicates that 1-(3-(1H-imidazol-1-yl)propyl)-4-(benzofuran-2-carbonyl)-5-(2,3-dimethoxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-(1H-imidazol-1-yl)propyl)-4-(benzofuran-2-carbonyl)-5-(2,3-dimethoxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-one. Following Lipinski's Rule of Five, 1-(3-(1H-imidazol-1-yl)propyl)-4-(benzofuran-2-carbonyl)-5-(2,3-dimethoxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-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-(3-(1H-imidazol-1-yl)propyl)-4-(benzofuran-2-carbonyl)-5-(2,3-dimethoxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-one?
The CAS number of 1-(3-(1H-imidazol-1-yl)propyl)-4-(benzofuran-2-carbonyl)-5-(2,3-dimethoxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-one is 797764-69-3.
What is the molecular formula of 1-(3-(1H-imidazol-1-yl)propyl)-4-(benzofuran-2-carbonyl)-5-(2,3-dimethoxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-one?
The molecular formula of 1-(3-(1H-imidazol-1-yl)propyl)-4-(benzofuran-2-carbonyl)-5-(2,3-dimethoxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-one is C27H25N3O6.
What is the molecular weight of 1-(3-(1H-imidazol-1-yl)propyl)-4-(benzofuran-2-carbonyl)-5-(2,3-dimethoxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-one?
The molecular weight of 1-(3-(1H-imidazol-1-yl)propyl)-4-(benzofuran-2-carbonyl)-5-(2,3-dimethoxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-one is 487.17 g/mol.
Where can I buy 1-(3-(1H-imidazol-1-yl)propyl)-4-(benzofuran-2-carbonyl)-5-(2,3-dimethoxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-one?
You can request a quote for 1-(3-(1H-imidazol-1-yl)propyl)-4-(benzofuran-2-carbonyl)-5-(2,3-dimethoxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-(1H-imidazol-1-yl)propyl)-4-(benzofuran-2-carbonyl)-5-(2,3-dimethoxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-(1H-imidazol-1-yl)propyl)-4-(benzofuran-2-carbonyl)-5-(2,3-dimethoxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.