5-(3,4-Diethoxyphenyl)-3-hydroxy-1-(3-imidazolylpropyl)-4-(2-thienylcarbonyl)-3-pyrrolin-2-one
TL;DR: 5-(3,4-Diethoxyphenyl)-3-hydroxy-1-(3-imidazolylpropyl)-4-(2-thienylcarbonyl)-3-pyrrolin-2-one (CAS 579441-97-7) is a chemical compound with molecular formula C25H27N3O5S and molecular weight 481.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-diethoxyphenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
Also Known As: 5-(3,4-Diethoxyphenyl)-3-hydroxy-1-(3-imidazolylpropyl)-4-(2-thienylcarbonyl)-3-pyrrolin-2-one, 1-(3-(1H-imidazol-1-yl)propyl)-5-(3,4-diethoxyphenyl)-3-hydroxy-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one, 2-(3,4-diethoxyphenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one, 5-(3,4-diethoxyphenyl)-3-hydroxy-1-(3-imidazolylpropyl)-4-(2-thienylcarbonyl)- 3-pyrrolin-2-one
| Molecular Formula | C25H27N3O5S |
|---|---|
| Molecular Weight | 481.17 g/mol |
| LogP | 4.4106 |
| Topological Polar Surface Area | 93.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 481.16714 |
| Heavy Atoms | 34 |
| Complexity | 1171.3948 |
Chemical Identifiers
| CAS Number | 579441-97-7 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2CCCN3C=CN=C3)O)C(=O)C4=CC=CS4)OCC |
Product Overview
5-(3,4-Diethoxyphenyl)-3-hydroxy-1-(3-imidazolylpropyl)-4-(2-thienylcarbonyl)-3-pyrrolin-2-one (CAS 579441-97-7), with molecular formula C25H27N3O5S and molecular weight 481.17 g/mol. IUPAC: 2-(3,4-diethoxyphenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
Chemical Property Profile of 5-(3,4-Diethoxyphenyl)-3-hydroxy-1-(3-imidazolylpropyl)-4-(2-thienylcarbonyl)-3-pyrrolin-2-one
Property Insights of 5-(3,4-Diethoxyphenyl)-3-hydroxy-1-(3-imidazolylpropyl)-4-(2-thienylcarbonyl)-3-pyrrolin-2-one
The XLogP value of 4.4106 indicates that 5-(3,4-Diethoxyphenyl)-3-hydroxy-1-(3-imidazolylpropyl)-4-(2-thienylcarbonyl)-3-pyrrolin-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3,4-Diethoxyphenyl)-3-hydroxy-1-(3-imidazolylpropyl)-4-(2-thienylcarbonyl)-3-pyrrolin-2-one. Following Lipinski's Rule of Five, 5-(3,4-Diethoxyphenyl)-3-hydroxy-1-(3-imidazolylpropyl)-4-(2-thienylcarbonyl)-3-pyrrolin-2-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 5-(3,4-Diethoxyphenyl)-3-hydroxy-1-(3-imidazolylpropyl)-4-(2-thienylcarbonyl)-3-pyrrolin-2-one?
The CAS number of 5-(3,4-Diethoxyphenyl)-3-hydroxy-1-(3-imidazolylpropyl)-4-(2-thienylcarbonyl)-3-pyrrolin-2-one is 579441-97-7.
What is the molecular formula of 5-(3,4-Diethoxyphenyl)-3-hydroxy-1-(3-imidazolylpropyl)-4-(2-thienylcarbonyl)-3-pyrrolin-2-one?
The molecular formula of 5-(3,4-Diethoxyphenyl)-3-hydroxy-1-(3-imidazolylpropyl)-4-(2-thienylcarbonyl)-3-pyrrolin-2-one is C25H27N3O5S.
What is the molecular weight of 5-(3,4-Diethoxyphenyl)-3-hydroxy-1-(3-imidazolylpropyl)-4-(2-thienylcarbonyl)-3-pyrrolin-2-one?
The molecular weight of 5-(3,4-Diethoxyphenyl)-3-hydroxy-1-(3-imidazolylpropyl)-4-(2-thienylcarbonyl)-3-pyrrolin-2-one is 481.17 g/mol.
Where can I buy 5-(3,4-Diethoxyphenyl)-3-hydroxy-1-(3-imidazolylpropyl)-4-(2-thienylcarbonyl)-3-pyrrolin-2-one?
You can request a quote for 5-(3,4-Diethoxyphenyl)-3-hydroxy-1-(3-imidazolylpropyl)-4-(2-thienylcarbonyl)-3-pyrrolin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3,4-Diethoxyphenyl)-3-hydroxy-1-(3-imidazolylpropyl)-4-(2-thienylcarbonyl)-3-pyrrolin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(3,4-Diethoxyphenyl)-3-hydroxy-1-(3-imidazolylpropyl)-4-(2-thienylcarbonyl)-3-pyrrolin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.